X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Fcontact.f;h=6f015643df844812203ce496d157aedb97f90726;hb=e671079ea7205ad8c3b8276abe8811f99c36f694;hp=b17f153b01e887db85f22e9ab882c8f00014324d;hpb=a45ce81aae2c857c30b821e39e45a7a08356de4d;p=unres.git diff --git a/source/cluster/wham/src-M/contact.f b/source/cluster/wham/src-M/contact.f index b17f153..6f01564 100644 --- a/source/cluster/wham/src-M/contact.f +++ b/source/cluster/wham/src-M/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)