X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Fcontact.f;fp=source%2Fcluster%2Fwham%2Fsrc%2Fcontact.f;h=6f015643df844812203ce496d157aedb97f90726;hb=5b0e27e99ac1e61b8b155f3cc6351fac58c391ca;hp=b17f153b01e887db85f22e9ab882c8f00014324d;hpb=664d495e70d14eed4e97f7b8efd2e107dee2fd4e;p=unres.git diff --git a/source/cluster/wham/src/contact.f b/source/cluster/wham/src/contact.f index b17f153..6f01564 100644 --- 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)