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wham scratch & unres symm
[unres.git]
/
source
/
unres
/
src-HCD-5D
/
q_measure1.F
diff --git
a/source/unres/src-HCD-5D/q_measure1.F
b/source/unres/src-HCD-5D/q_measure1.F
index
9c1546d
..
22b764b
100644
(file)
--- a/
source/unres/src-HCD-5D/q_measure1.F
+++ b/
source/unres/src-HCD-5D/q_measure1.F
@@
-156,8
+156,12
@@
c MD with umbrella_sampling using Wolyne's distance measure as a constraint
#ifndef LANG0
include 'COMMON.LANGEVIN'
#else
#ifndef LANG0
include 'COMMON.LANGEVIN'
#else
+#ifdef FIVEDIAG
+ include 'COMMON.LANGEVIN.lang0.5diag'
+#else
include 'COMMON.LANGEVIN.lang0'
#endif
include 'COMMON.LANGEVIN.lang0'
#endif
+#endif
include 'COMMON.CHAIN'
include 'COMMON.DERIV'
include 'COMMON.GEO'
include 'COMMON.CHAIN'
include 'COMMON.DERIV'
include 'COMMON.GEO'
@@
-260,8
+264,12
@@
c Calculating numerical dUconst/ddc and dUconst/ddx
#ifndef LANG0
include 'COMMON.LANGEVIN'
#else
#ifndef LANG0
include 'COMMON.LANGEVIN'
#else
+#ifdef FIVEDIAG
+ include 'COMMON.LANGEVIN.lang0.5diag'
+#else
include 'COMMON.LANGEVIN.lang0'
#endif
include 'COMMON.LANGEVIN.lang0'
#endif
+#endif
include 'COMMON.CHAIN'
include 'COMMON.DERIV'
include 'COMMON.GEO'
include 'COMMON.CHAIN'
include 'COMMON.DERIV'
include 'COMMON.GEO'