X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fcontact.f;h=a244d860c0c95ff73829538df4d7c22f4a71cbfc;hb=e123f68beb7954771018d0311468c68250b5f2d1;hp=24b11d6311fced7cdf1f2e125016dd601e9cc45c;hpb=cc6bfed2a73175fb7329acdd60f3d89d9f25afbb;p=unres.git diff --git a/source/unres/src_MD/contact.f b/source/unres/src_MD/contact.f index 24b11d6..a244d86 100644 --- a/source/unres/src_MD/contact.f +++ b/source/unres/src_MD/contact.f @@ -12,9 +12,9 @@ ncont=0 kkk=3 do i=nnt+kkk,nct - iti=iabs(itype(i)) + iti=itype(i) do j=nnt,i-kkk - itj=iabs(itype(j)) + itj=itype(j) if (ipot.ne.4) then c rcomp=sigmaii(iti,itj)+1.0D0 rcomp=facont*sigmaii(iti,itj)