X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD-M%2Fcontact.f;fp=source%2Funres%2Fsrc_MD-M%2Fcontact.f;h=24b11d6311fced7cdf1f2e125016dd601e9cc45c;hb=5054187b907c191b7b9fe4a38fcf74be98b7649b;hp=a244d860c0c95ff73829538df4d7c22f4a71cbfc;hpb=f3db7c344cffbf39a7cbc2646eefb45110081fe8;p=unres.git diff --git a/source/unres/src_MD-M/contact.f b/source/unres/src_MD-M/contact.f index a244d86..24b11d6 100644 --- a/source/unres/src_MD-M/contact.f +++ b/source/unres/src_MD-M/contact.f @@ -12,9 +12,9 @@ ncont=0 kkk=3 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)