Merge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4 into UCGM

[unres4.git] / source / wham / io_database.F90

diff --git a/source/wham/io_database.F90 b/source/wham/io_database.F90
index e5ab5bc..c072b2a 100644 (file)
--- a/source/wham/io_database.F90
+++ b/source/wham/io_database.F90
@@ -1411,12 +1411,13 @@ write(iout,*) "end of read database"
       call int_from_cart1(.false.)
       do j=nnt+1,nct
          mnum=molnum(j)
+         if (mnum.ne.1) cycle
          if (mnum.eq.5) cycle
         if (itype(j-1,mnum).ne.ntyp1 .and. itype(j,mnum).ne.ntyp1_molec(mnum) .and. &
           (vbld(j).lt.2.0d0 .or. vbld(j).gt.5.0d0)) then
           if (iprint.gt.0) &
           write (iout,*) "Bad CA-CA bond length",j," ",vbld(j),&
-            " for conformation",ii
+            " for conformation",ii,mnum
           if (iprint.gt.1) then
             write (iout,*) "The Cartesian geometry is:"
             write (iout,'(8f10.5)') ((c(l,k),l=1,3),k=1,nres)
@@ -1437,7 +1438,7 @@ write(iout,*) "end of read database"
       enddo
       do j=nnt,nct
         mnum=molnum(j)
-        if (mnum.eq.5) cycle
+        if (mnum.ne.1) cycle
         itj=itype(j,mnum)
         if (itype(j,mnum).ne.10 .and.itype(j,mnum).ne.ntyp1_molec(mnum) .and. &
            (vbld(nres+j)-dsc(iabs(itj))).gt.2.0d0) then