Add the optional ipardef parameter to the segment file

Does not change any runs, but makes it explicit

src/data/amber_q/BTH.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
-#                                                                               
+# This is an automatically generated segment file
+#
     4.600000
-   12   11   18   21    0    0    1
+   12   11   18   21    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      CT       -0.100000    0.000000

src/data/amber_q/BTO.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
-#                                                                               
+# This is an automatically generated segment file
+#
     4.600000
-   11   10   16   18    0    0    1
+   11   10   16   18    0    0    1    1
     0.000000
     1 C1       3    1    0    1    1
      C         0.325525    0.000000

src/data/amber_q/BUT.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
-#                                                                               
+# This is an automatically generated segment file
+#
     4.600000
-   13   12   21   24    0    0    1
+   13   12   21   24    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      CT       -0.100000    0.000000

src/data/amber_q/Ca.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
-#                                                                               
+# This is an automatically generated segment file
+#
     4.600000
-    1    0    0    0    0    0    1
+    1    0    0    0    0    0    1    1
     0.000000
     1Ca        0    0    0    1    1
      Ca        2.000000    0.000000

src/data/amber_q/FUC.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
-#                                                                               
+# This is an automatically generated segment file
+#
     4.600000
-   26   26   47   66    2    0    1
+   26   26   47   66    2    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      EC       -0.369000   40.000000

src/data/amber_q/GA3.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
-#                                                                               
+# This is an automatically generated segment file
+#
     4.600000
-   29   29   53   77    1    0    1
+   29   29   53   77    1    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC        0.038921    0.000000

src/data/amber_q/GC2.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   18   18   32   44    0    0    1
+   18   18   32   44    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC        0.230198    0.000000

src/data/amber_q/GC3.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   21   21   37   56    0    0    1
+   21   21   37   56    0    0    1    1
     0.000000
     1 OR       0    0    0    1    1
      OS       -0.353085    0.000000

src/data/amber_q/GL4.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   21   21   37   56    0    0    1
+   21   21   37   56    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      EC        0.041291    0.000000

src/data/amber_q/GL5.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   22   22   38   59    0    0    1
+   22   22   38   59    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC       -0.065653    0.000000

src/data/amber_q/GL6.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   21   21   37   56    0    0    1
+   21   21   37   56    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      EC        0.043199    0.000000

src/data/amber_q/GL7.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   22   22   38   59    0    0    1
+   22   22   38   59    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC        0.030888    0.000000

src/data/amber_q/GL8.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   20   20   36   53    0    0    1
+   20   20   36   53    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      EC       -0.369030   40.000000

src/data/amber_q/GLT.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   22   22   38   59    0    0    1
+   22   22   38   59    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC        0.092262    0.000000

src/data/amber_q/GTL.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   30   30   56   81    1    0    1
+   30   30   56   81    1    0    1    1
     0.000000
     1 C1       0    0    0    1    1
      CT        0.038921    0.000000

src/data/amber_q/HDH.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   15   14   23   30    0    0    1
+   15   14   23   30    0    0    1    1
     0.000000
     1 C1       3    1    0    1    1
      C         0.543709    0.000000

src/data/amber_q/HDO.sgm

@@ -1,4 +1,4 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
    14   13   22   27    0    0    1    1

src/data/amber_q/HED.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   15   14   25   24    0    0    1
+   15   14   25   24    0    0    1    1
     0.000000
     1 NZ       0    0    0    1    1
      N3       -0.247246    0.000000

src/data/amber_q/HEP.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   22   21   39   51    0    0    1
+   22   21   39   51    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      CT       -0.100000    0.000000

src/data/amber_q/HP4.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   20   20   35   45    0    0    1
+   20   20   35   45    0    0    1    1
     0.000000
     1 C1       0    0    0    1    1
      AC        0.466075    0.000000

src/data/amber_q/HP5.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   29   29   50   74    2    0    1
+   29   29   50   74    2    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC       -0.013624    0.000000

src/data/amber_q/KD4.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   24   24   42   60    1    0    1
+   24   24   42   60    1    0    1    1
     0.000000
     1 C1       0    1    0    1    1
      C         0.473407    0.000000

src/data/amber_q/KD5.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   27   27   47   72    1    0    1
+   27   27   47   72    1    0    1    1
     0.000000
     1 C1       0    1    0    1    1
      C         0.473407    0.000000

src/data/amber_q/LPO.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   17   16   24   28    1    0    1
+   17   16   24   28    1    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      CT        0.135769    0.000000

src/data/amber_q/MA2.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   31   31   55   76    5    0    1
+   31   31   55   76    5    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      EC       -0.369000   40.000000

src/data/amber_q/MA3.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   32   32   56   78    5    0    1
+   32   32   56   78    5    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      EC        0.425550    0.000000

src/data/amber_q/MA4.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   33   33   57   81    5    0    1
+   33   33   57   81    5    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      EC       -0.370826    0.000000

src/data/amber_q/Na.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-    1    0    0    0    0    0    1
+    1    0    0    0    0    0    1    1
     0.000000
     1Na        0    0    0    1    1
      Na        1.000000    0.000000

src/data/amber_q/PET.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   16   15   27   33    0    0    1
+   16   15   27   33    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      CT       -0.026814    0.000000

src/data/amber_q/PO4.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-    5    4    6    0    0    0    1
+    5    4    6    0    0    0    1    1
     0.000000
     1 OP1      3    0    0    1    1
      OS       -0.139474    0.000000

src/data/amber_q/RH2.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   20   20   36   53    0    0    1
+   20   20   36   53    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC       -0.207395    0.000000

src/data/amber_q/RH3.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   20   20   36   53    0    0    1
+   20   20   36   53    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC       -0.369034    0.000000

src/data/amber_q/lps_Pa/BTH.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   12   11   18   21    0    0    1
+   12   11   18   21    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      CT       -0.100000    0.000000

src/data/amber_q/lps_Pa/BTO.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   11   10   16   18    0    0    1
+   11   10   16   18    0    0    1    1
     0.000000
     1 C1       3    1    0    1    1
      C         0.325525    0.000000

src/data/amber_q/lps_Pa/BUT.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   13   12   21   24    0    0    1
+   13   12   21   24    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      CT       -0.100000    0.000000

src/data/amber_q/lps_Pa/GA3.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   29   29   53   77    1    0    1
+   29   29   53   77    1    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC        0.038921    0.000000

src/data/amber_q/lps_Pa/GC3.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   21   21   37   56    0    0    1
+   21   21   37   56    0    0    1    1
     0.000000
     1 OR       0    0    0    1    1
      OS       -0.353085    0.000000

src/data/amber_q/lps_Pa/GL4.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   21   21   37   56    0    0    1
+   21   21   37   56    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      EC        0.041291    0.000000

src/data/amber_q/lps_Pa/GL5.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   22   22   38   59    0    0    1
+   22   22   38   59    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC       -0.065653    0.000000

src/data/amber_q/lps_Pa/GL6.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   21   21   37   56    0    0    1
+   21   21   37   56    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      EC        0.043199    0.000000

src/data/amber_q/lps_Pa/GL7.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   22   22   38   59    0    0    1
+   22   22   38   59    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC        0.030888    0.000000

src/data/amber_q/lps_Pa/HDH.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   15   14   23   30    0    0    1
+   15   14   23   30    0    0    1    1
     0.000000
     1 C1       3    1    0    1    1
      C         0.543709    0.000000

src/data/amber_q/lps_Pa/HDO.sgm

@@ -1,4 +1,4 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
    14   13   22   27    0    0    1    1

src/data/amber_q/lps_Pa/HEP.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   22   21   39   51    0    0    1
+   22   21   39   51    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      CT       -0.100000    0.000000

src/data/amber_q/lps_Pa/HP4.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   20   20   35   45    0    0    1
+   20   20   35   45    0    0    1    1
     0.000000
     1 C1       0    0    0    1    1
      AC        0.466075    0.000000

src/data/amber_q/lps_Pa/HP5.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   29   29   50   74    2    0    1
+   29   29   50   74    2    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC       -0.013624    0.000000

src/data/amber_q/lps_Pa/KD4.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   24   24   42   60    1    0    1
+   24   24   42   60    1    0    1    1
     0.000000
     1 C1       0    1    0    1    1
      C         0.473407    0.000000

src/data/amber_q/lps_Pa/KD5.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   27   27   47   72    1    0    1
+   27   27   47   72    1    0    1    1
     0.000000
     1 C1       0    1    0    1    1
      C         0.473407    0.000000

src/data/amber_q/lps_Pa/PET.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   16   15   27   33    0    0    1
+   16   15   27   33    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      CT       -0.026814    0.000000

src/data/amber_q/lps_Pa/PO4.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-    5    4    6    0    0    0    1
+    5    4    6    0    0    0    1    1
     0.000000
     1 OP1      3    0    0    1    1
      OS       -0.139474    0.000000

src/data/amber_q/lps_Pa/RH2.sgm

@@ -1,7 +1,7 @@
-# This is an automatically generated segment file                               
+# This is an automatically generated segment file
 #                                                                               
     4.600000
-   20   20   36   53    0    0    1
+   20   20   36   53    0    0    1    1
     0.000000
     1 C1       3    0    0    1    1
      AC       -0.207395    0.000000

src/data/amber_s/ACE_N.sgm

@@ -1,6 +1,7 @@
+#
 $ACE_N
     4.600000
-    6    5    7    3    0    0    1
+    6    5    7    3    0    0    1    1
     0.000000
     1 CH3      0    0    0    1    1
      CT       -0.366200    0.000000

src/data/amber_s/ALA.sgm

@@ -1,6 +1,7 @@
+#
 $ALA
     4.600000
-   10    9   14   15    0    1    1
+   10    9   14   15    0    1    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/ALA_C.sgm

@@ -1,6 +1,7 @@
+#
 $ALA_C
     4.600000
-   11   10   16   18    1    0    1
+   11   10   16   18    1    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.382100    0.000000

src/data/amber_s/ALA_N.sgm

@@ -1,6 +1,7 @@
+#
 $ALA_N
     4.600000
-   12   11   19   21    0    0    1
+   12   11   19   21    0    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.141400    0.000000

src/data/amber_s/ARG.sgm

@@ -1,6 +1,7 @@
+#
 $ARG
     4.600000
-   24   23   38   51    4    6    1
+   24   23   38   51    4    6    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.347900    0.000000

src/data/amber_s/ARG_C.sgm

@@ -1,6 +1,7 @@
+#
 $ARG_C
     4.600000
-   25   24   40   54    5    0    1
+   25   24   40   54    5    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.348100    0.000000

src/data/amber_s/ARG_N.sgm

@@ -1,6 +1,7 @@
+#
 $ARG_N
     4.600000
-   26   25   43   57    4    0    1
+   26   25   43   57    4    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3       -0.263000    0.000000

src/data/amber_s/ASH.sgm

@@ -1,6 +1,7 @@
+#
 $ASH
     4.600000
-   13   12   18   23    1    0    1
+   13   12   18   23    1    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/ASN.sgm

@@ -1,6 +1,7 @@
+#
 $ASN
     4.600000
-   14   13   20   25    2    4    1
+   14   13   20   25    2    4    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/ASN_C.sgm

@@ -1,6 +1,7 @@
+#
 $ASN_C
     4.600000
-   15   14   22   28    3    0    1
+   15   14   22   28    3    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.382100    0.000000

src/data/amber_s/ASN_N.sgm

@@ -1,6 +1,7 @@
+#
 $ASN_N
     4.600000
-   16   15   25   31    2    0    1
+   16   15   25   31    2    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.180100    0.000000

src/data/amber_s/ASP.sgm

@@ -1,6 +1,7 @@
+#
 $ASP
     4.600000
-   12   11   17   21    1    1    1
+   12   11   17   21    1    1    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.516300    0.000000

src/data/amber_s/ASP_C.sgm

@@ -1,6 +1,7 @@
+#
 $ASP_C
     4.600000
-   13   12   19   24    2    0    1
+   13   12   19   24    2    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.519200    0.000000

src/data/amber_s/ASP_N.sgm

@@ -1,6 +1,7 @@
+#
 $ASP_N
     4.600000
-   14   13   22   27    1    0    1
+   14   13   22   27    1    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.078200    0.000000

src/data/amber_s/CYS.sgm

@@ -1,6 +1,7 @@
+#
 $CYS
     4.600000
-   11   10   15   18    0    2    1
+   11   10   15   18    0    2    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/CYS_C.sgm

@@ -1,6 +1,7 @@
+#
 $CYS_C
     4.600000
-   12   11   17   21    1    0    1
+   12   11   17   21    1    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.382100    0.000000

src/data/amber_s/CYS_N.sgm

@@ -1,6 +1,7 @@
+#
 $CYS_N
     4.600000
-   13   12   20   24    0    0    1
+   13   12   20   24    0    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.132500    0.000000

src/data/amber_s/CYX.sgm

@@ -1,6 +1,7 @@
+#
 $CYX
     4.600000
-   10    9   14   15    0    0    1
+   10    9   14   15    0    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/CYX1.sgm

@@ -1,6 +1,7 @@
+#
 $CYX1
     4.600000
-   10    9   14   18    0    0    1
+   10    9   14   18    0    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/CYX2.sgm

@@ -1,6 +1,7 @@
+#
 $CYX2
     4.600000
-   10    9   14   15    0    0    1
+   10    9   14   15    0    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/CYX_C.sgm

@@ -1,6 +1,7 @@
+#
 $CYX_C
     4.600000
-   11   10   16   18    1    0    1
+   11   10   16   18    1    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.382100    0.000000

src/data/amber_s/Cl.sgm

@@ -1,7 +1,7 @@
 # This is an automatically generated segment file
 #
     4.600000
-    1    0    0    0    0    0    1
+    1    0    0    0    0    0    1    1
     0.000000
     1Cl        0    0    0    1    1
      Cl       -1.000000    0.000000

src/data/amber_s/GLH.sgm

@@ -1,6 +1,7 @@
+#
 $GLH
     4.600000
-   16   15   24   32    1    0    1
+   16   15   24   32    1    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/GLN.sgm

@@ -1,6 +1,7 @@
+#
 $GLN
     4.600000
-   17   16   26   34    2    0    1
+   17   16   26   34    2    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/GLN_C.sgm

@@ -1,6 +1,7 @@
+#
 $GLN_C
     4.600000
-   18   17   28   37    3    0    1
+   18   17   28   37    3    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.382100    0.000000

src/data/amber_s/GLN_N.sgm

@@ -1,6 +1,7 @@
+#
 $GLN_N
     4.600000
-   19   18   31   40    2    0    1
+   19   18   31   40    2    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.149300    0.000000

src/data/amber_s/GLU.sgm

@@ -1,6 +1,7 @@
+#
 $GLU
     4.600000
-   15   14   23   30    1    4    1
+   15   14   23   30    1    4    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.516300    0.000000

src/data/amber_s/GLU_C.sgm

@@ -1,6 +1,7 @@
+#
 $GLU_C
     4.600000
-   16   15   25   33    2    0    1
+   16   15   25   33    2    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.519200    0.000000

src/data/amber_s/GLU_N.sgm

@@ -1,6 +1,7 @@
+#
 $GLU_N
     4.600000
-   17   16   28   36    1    0    1
+   17   16   28   36    1    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.001700    0.000000

src/data/amber_s/GLY.sgm

@@ -1,6 +1,7 @@
+#
 $GLY
     4.600000
-    7    6    8    6    0    0    1
+    7    6    8    6    0    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/GLY_C.sgm

@@ -1,6 +1,7 @@
+#
 $GLY_C
     4.600000
-    8    7   10    9    1    0    1
+    8    7   10    9    1    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.382100    0.000000

src/data/amber_s/GLY_N.sgm

@@ -1,6 +1,7 @@
+#
 $GLY_N
     4.600000
-    9    8   13   12    0    0    1
+    9    8   13   12    0    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.294300    0.000000

src/data/amber_s/HID.sgm

@@ -1,6 +1,7 @@
+#
 $HID
     4.600000
-   17   17   27   37    4    6    1
+   17   17   27   37    4    6    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/HID_C.sgm

@@ -1,6 +1,7 @@
+#
 $HID_C
     4.600000
-   18   18   29   40    5    0    1
+   18   18   29   40    5    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.382100    0.000000

src/data/amber_s/HID_N.sgm

@@ -1,6 +1,7 @@
+#
 $HID_N
     4.600000
-   19   19   32   43    4    0    1
+   19   19   32   43    4    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.154200    0.000000

src/data/amber_s/HIE.sgm

@@ -1,6 +1,7 @@
+#
 $HIE
     4.600000
-   17   17   27   37    4    6    1
+   17   17   27   37    4    6    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/HIE_C.sgm

@@ -1,6 +1,7 @@
+#
 $HIE_C
     4.600000
-   18   18   29   40    5    0    1
+   18   18   29   40    5    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.382100    0.000000

src/data/amber_s/HIE_N.sgm

@@ -1,6 +1,7 @@
+#
 $HIE_N
     4.600000
-   19   19   32   43    4    0    1
+   19   19   32   43    4    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.147200    0.000000

src/data/amber_s/HIP.sgm

@@ -1,6 +1,7 @@
+#
 $HIP
     4.600000
-   18   18   29   41    5    5    1
+   18   18   29   41    5    5    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.347900    0.000000

src/data/amber_s/HIP_C.sgm

@@ -1,6 +1,7 @@
+#
 $HIP_C
     4.600000
-   19   19   31   44    6    0    1
+   19   19   31   44    6    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.348100    0.000000

src/data/amber_s/HIP_N.sgm

@@ -1,6 +1,7 @@
+#
 $HIP_N
     4.600000
-   20   20   34   47    5    0    1
+   20   20   34   47    5    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3       -0.263000    0.000000

src/data/amber_s/ILE.sgm

@@ -1,6 +1,7 @@
+#
 $ILE
     4.600000
-   19   18   32   42    0    4    1
+   19   18   32   42    0    4    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/ILE_C.sgm

@@ -1,6 +1,7 @@
+#
 $ILE_C
     4.600000
-   20   19   34   45    1    0    1
+   20   19   34   45    1    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.382100    0.000000

src/data/amber_s/ILE_N.sgm

@@ -1,6 +1,7 @@
+#
 $ILE_N
     4.600000
-   21   20   37   48    0    0    1
+   21   20   37   48    0    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.031100    0.000000

src/data/amber_s/IM.sgm

@@ -1,7 +1,7 @@
 # This is an automatically generated segment file
 #
     4.600000
-    1    0    0    0    0    0    1
+    1    0    0    0    0    0    1    1
     0.000000
     1IM        0    0    0    1    1
      IM       -1.000000    0.000000

src/data/amber_s/K.sgm

@@ -1,7 +1,7 @@
 # This is an automatically generated segment file
 #
     4.600000
-    1    0    0    0    0    0    1
+    1    0    0    0    0    0    1    1
     0.000000
     1 K        0    0    0    1    1
      K         1.000000    0.000000

src/data/amber_s/LEU.sgm

@@ -1,6 +1,7 @@
+#
 $LEU
     4.600000
-   19   18   32   42    0    4    1
+   19   18   32   42    0    4    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.415700    0.000000

src/data/amber_s/LEU_C.sgm

@@ -1,6 +1,7 @@
+#
 $LEU_C
     4.600000
-   20   19   34   45    1    0    1
+   20   19   34   45    1    0    1    1
     0.000000
     1 N        1    1    0    1    1
      N        -0.382100    0.000000

src/data/amber_s/LEU_N.sgm

@@ -1,6 +1,7 @@
+#
 $LEU_N
     4.600000
-   21   20   37   48    0    0    1
+   21   20   37   48    0    0    1    1
     0.000000
     1 N        0    0    0    1    1
      N3        0.101000    0.000000