X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Fread_coords.F;h=b9ee8755d5fec8949d5c2013b15d83ac188f5c20;hb=8edf1bfce4d6b0586a4bde13101f96f48377a5ce;hp=2a21cbe14055a5ba4f5d18eccfc4478b73c456a7;hpb=2d66111aef48a7db8a87b9f9b3882d640ea53435;p=unres.git diff --git a/source/cluster/wham/src/read_coords.F b/source/cluster/wham/src/read_coords.F index 2a21cbe..b9ee875 100644 --- a/source/cluster/wham/src/read_coords.F +++ b/source/cluster/wham/src/read_coords.F @@ -397,7 +397,8 @@ 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:"