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debugging 5Dia
[unres4.git]
/
source
/
unres
/
compare.F90
diff --git
a/source/unres/compare.F90
b/source/unres/compare.F90
index
50972e1
..
75a9bce
100644
(file)
--- a/
source/unres/compare.F90
+++ b/
source/unres/compare.F90
@@
-46,9
+46,9
@@
ncont=0
kkk=3
do i=nnt+kkk,nct
- iti=iabs(itype(i,1))
+ iti=iabs(itype(i,molnum(i)))
do j=nnt,i-kkk
- itj=iabs(itype(j,1))
+ itj=iabs(itype(j,molnum(i)))
if (ipot.ne.4) then
! rcomp=sigmaii(iti,itj)+1.0D0
rcomp=facont*sigmaii(iti,itj)