X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Fread_coords.F;h=b2aa42562a8c61734484ee4f1ea0b412cdbd6b06;hb=7675ab8ec26554f2fd3f2e7e427b177254872a45;hp=cf98db7fbf3d279238561660a23ed6324a0e61cb;hpb=56b6e687a929b4935fe39b4abd8beb4e05265199;p=unres.git diff --git a/source/cluster/wham/src/read_coords.F b/source/cluster/wham/src/read_coords.F index cf98db7..b2aa425 100644 --- a/source/cluster/wham/src/read_coords.F +++ b/source/cluster/wham/src/read_coords.F @@ -418,7 +418,8 @@ c------------------------------------------------------------------------------ enddo do j=nnt,nct itj=itype(j) - if (itype(j).ne.10 .and. (vbld(nres+j)-dsc(itj)).gt.2.0d0) then + if (itype(j).ne.10 .and. (vbld(nres+j)-dsc(iabs(itj))).gt.2.0d0) + & then write (iout,*) "Conformation",jjj,jj+1 write (iout,*) "Bad CA-SC bond length",j," ",vbld(nres+j) write (iout,*) "The Cartesian geometry is:"