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homology from okeanos
[unres.git]
/
source
/
unres
/
src_CSA_DiL
/
contact.f
diff --git
a/source/unres/src_CSA_DiL/contact.f
b/source/unres/src_CSA_DiL/contact.f
index
a244d86
..
24b11d6
100644
(file)
--- a/
source/unres/src_CSA_DiL/contact.f
+++ b/
source/unres/src_CSA_DiL/contact.f
@@
-12,9
+12,9
@@
ncont=0
kkk=3
do i=nnt+kkk,nct
ncont=0
kkk=3
do i=nnt+kkk,nct
- iti=itype(i)
+ iti=iabs(itype(i))
do j=nnt,i-kkk
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)
if (ipot.ne.4) then
c rcomp=sigmaii(iti,itj)+1.0D0
rcomp=facont*sigmaii(iti,itj)