X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2Fread_coords.F;h=2911e60c6ef1cfd43283b0bd5e634b1b6c3f48e2;hp=56962d926ad4adb1dbc7f628a814c11c708bbefd;hb=48f04f24e913a3e10867d2038b30efcd48a60a9f;hpb=4ed0b0657cdb9599bd714a010134061c94f509cc diff --git a/source/cluster/wham/src-M/read_coords.F b/source/cluster/wham/src-M/read_coords.F index 56962d9..2911e60 100644 --- a/source/cluster/wham/src-M/read_coords.F +++ b/source/cluster/wham/src-M/read_coords.F @@ -393,7 +393,8 @@ c------------------------------------------------------------------------------ chalen=int((nct-nnt+2)/symetr) call int_from_cart1(.false.) do j=nnt+1,nct - if (vbld(j).lt.2.0d0 .or. vbld(j).gt.5.0d0) then + if ((vbld(j).lt.2.0d0 .or. vbld(j).gt.5.0d0) + & .and.(itype(j).ne.ntyp1)) then if (j.gt.2) then if (itel(j).ne.0 .and. itel(j-1).ne.0) then write (iout,*) "Conformation",jjj,jj+1 @@ -418,8 +419,8 @@ c------------------------------------------------------------------------------ enddo do j=nnt,nct itj=itype(j) - if (itype(j).ne.10 .and. (vbld(nres+j)-dsc(iabs(itj))).gt.2.0d0) - & then + if (itype(j).ne.10 .and. (vbld(nres+j)-dsc(iabs(itj))).gt.2.0d0 + & .and. itype(j).ne.ntyp1) then write (iout,*) "Conformation",jjj,jj+1 write (iout,*) "Bad CA-SC bond length",j," ",vbld(nres+j) write (iout,*) "The Cartesian geometry is:"