From 8bb6e181cfbbf56b47b4f551b3d428f22c7a212e Mon Sep 17 00:00:00 2001 From: Kurt Glaesmann Date: Wed, 26 Aug 2009 17:01:44 +0000 Subject: [PATCH] Update segment files to current file format --- src/data/amber_x/clfm.sgm | 4 ++-- src/data/amber_x/meoh.sgm | 4 ++-- src/data/amber_x/spce.sgm | 3 ++- src/data/amber_x/thfs.sgm | 4 ++-- 4 files changed, 8 insertions(+), 7 deletions(-) diff --git a/src/data/amber_x/clfm.sgm b/src/data/amber_x/clfm.sgm index 44f54f6fef..ba0717b239 100644 --- a/src/data/amber_x/clfm.sgm +++ b/src/data/amber_x/clfm.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 C1 0 0 0 1 1 CT -0.384700 0.000000 diff --git a/src/data/amber_x/meoh.sgm b/src/data/amber_x/meoh.sgm index 5badd387c7..76329538bb 100644 --- a/src/data/amber_x/meoh.sgm +++ b/src/data/amber_x/meoh.sgm @@ -1,7 +1,7 @@ -# This is an automatically generated segment file +# This is an automatically generated segment file # 4.600000 - 6 5 7 3 0 0 1 + 6 5 7 3 0 0 1 1 0.000000 1 C1 0 0 0 1 1 CT 0.161604 0.000000 diff --git a/src/data/amber_x/spce.sgm b/src/data/amber_x/spce.sgm index 2e08d1cc1a..ae37e49a03 100644 --- a/src/data/amber_x/spce.sgm +++ b/src/data/amber_x/spce.sgm @@ -1,6 +1,7 @@ +# $spce 4.600000 - 3 3 0 0 0 0 1 + 3 3 0 0 0 0 1 1 5.220000 1 OW 1 1 0 1 1 OWS -0.847600 0.000000 diff --git a/src/data/amber_x/thfs.sgm b/src/data/amber_x/thfs.sgm index 05e0e66f1d..6ecf71e14a 100644 --- a/src/data/amber_x/thfs.sgm +++ b/src/data/amber_x/thfs.sgm @@ -1,7 +1,7 @@ -# This is an automatically generated segment file +# This is an automatically generated segment file # 4.600000 - 13 13 25 33 0 0 1 + 13 13 25 33 0 0 1 1 0.000000 1 C1 0 0 0 1 1 CT 0.347397 0.000000