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ctest src_MD-M corrections
[unres.git]
/
source
/
wham
/
src-M
/
cartder.f
diff --git
a/source/wham/src-M/cartder.f
b/source/wham/src-M/cartder.f
index
ed14f18
..
693fd60
100644
(file)
--- a/
source/wham/src-M/cartder.f
+++ b/
source/wham/src-M/cartder.f
@@
-263,7
+263,7
@@
cd print '(3f8.3)',(dcdv(k,ind1),k=1,3)
* Derivatives in alpha and omega:
*
do i=2,nres-1
* Derivatives in alpha and omega:
*
do i=2,nres-1
- dsci=dsc(itype(i))
+ dsci=dsc(iabs(itype(i)))
alphi=alph(i)
omegi=omeg(i)
cd print *,'i=',i,' dsci=',dsci,' alphi=',alphi,' omegi=',omegi
alphi=alph(i)
omegi=omeg(i)
cd print *,'i=',i,' dsci=',dsci,' alphi=',alphi,' omegi=',omegi