X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Fread_coords.F;fp=source%2Fcluster%2Fwham%2Fsrc-M%2Fread_coords.F;h=37951bd42bd3f92f2d80f1a0cbe91432b88a5027;hb=5b0e27e99ac1e61b8b155f3cc6351fac58c391ca;hp=c34aca47c2c3e36cbcae3e4ae7d34dad2eff0cb9;hpb=664d495e70d14eed4e97f7b8efd2e107dee2fd4e;p=unres.git diff --git a/source/cluster/wham/src-M/read_coords.F b/source/cluster/wham/src-M/read_coords.F index c34aca4..37951bd 100644 --- a/source/cluster/wham/src-M/read_coords.F +++ b/source/cluster/wham/src-M/read_coords.F @@ -404,7 +404,8 @@ 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:"