Update k6h2o & lysH-qmmm to run

QA/OUTSTANDING_ISSUES.txt

@@ -2,7 +2,3 @@ h2o-ssb-d & h2o-ssb-d-opt:
 
    The dispersion correction does not seem to get included in trunk
 
-k6h2o & lysH-qmmm:
-
-   Generates runtime errors, just like 5.1.1 version - Marat has been asked about it
-

QA/tests/k6h2o/k6h2o.nw

@@ -101,6 +101,10 @@ md
  update pairs 2  
 end
 
+qmmm
+region qmlink
+end
+
 # Run QM/MM dynamics.
 task qmmm scf dynamics 
 

QA/tests/lysH-qmmm/lysH-qmmm.nw

@@ -33,6 +33,7 @@ maxiter 20
 end
 
 
+set qmmm:bq_exclude 3
 md
  system lys_qmmm
  sd 200   init 0.01   min 0.00001   max 0.05
@@ -43,10 +44,8 @@ end
 qmmm
  print debug_info
  eatoms -56
- bq_exclude all
  link_atoms hydrogen
- link_bonds free
- optimization qm
+ region qm all
 end