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Fixed the addition of dummy chain ends to structures read from UNRES PDB files
[unres.git]
/
source
/
unres
/
src_CSA
/
checkder_p.F
diff --git
a/source/unres/src_CSA/checkder_p.F
b/source/unres/src_CSA/checkder_p.F
index
67465bb
..
3fc2e62
100644
(file)
--- a/
source/unres/src_CSA/checkder_p.F
+++ b/
source/unres/src_CSA/checkder_p.F
@@
-180,6
+180,9
@@
C Check the gradient of the energy in Cartesian coordinates.
include 'COMMON.IOUNITS'
include 'COMMON.VAR'
include 'COMMON.CONTACTS'
include 'COMMON.IOUNITS'
include 'COMMON.VAR'
include 'COMMON.CONTACTS'
+#ifdef MOMENT
+ include 'COMMON.CONTACTS.MOMENT'
+#endif
common /srutu/ icall
dimension ggg(6),cc(3),xx(3),ddc(3),ddx(3),x(maxvar),g(maxvar)
dimension grad_s(6,maxres)
common /srutu/ icall
dimension ggg(6),cc(3),xx(3),ddc(3),ddx(3),x(maxvar),g(maxvar)
dimension grad_s(6,maxres)
@@
-258,6
+261,9
@@
C Check the gradient of the energy in Cartesian coordinates.
include 'COMMON.IOUNITS'
include 'COMMON.VAR'
include 'COMMON.CONTACTS'
include 'COMMON.IOUNITS'
include 'COMMON.VAR'
include 'COMMON.CONTACTS'
+#ifdef MOMENT
+ include 'COMMON.CONTACTS.MOMENT'
+#endif
include 'COMMON.MD_'
include 'COMMON.LOCAL'
include 'COMMON.SPLITELE'
include 'COMMON.MD_'
include 'COMMON.LOCAL'
include 'COMMON.SPLITELE'