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Mergowanie adasko do bartek
[unres.git]
/
source
/
cluster
/
wham
/
src
/
contact.f
diff --git
a/source/cluster/wham/src/contact.f
b/source/cluster/wham/src/contact.f
index
b17f153
..
6f01564
100644
(file)
--- a/
source/cluster/wham/src/contact.f
+++ b/
source/cluster/wham/src/contact.f
@@
-12,9
+12,9
@@
kkk=3
c print *,'nnt=',nnt,' nct=',nct
do i=nnt+kkk,nct
- iti=itype(i)
+ iti=iabs(itype(i))
do j=nnt,i-kkk
- itj=itype(j)
+ itj=iabs(itype(j))
if (ipot.ne.4) then
c rcomp=sigmaii(iti,itj)+1.0D0
rcomp=facont*sigmaii(iti,itj)