xdrf2pdb Adam's PBC correction

[unres.git] / source / xdrfpdb / src-M / geomout.F

diff --git a/source/xdrfpdb/src-M/geomout.F b/source/xdrfpdb/src-M/geomout.F
index 4b871b8..256bc7a 100644 (file)
--- a/source/xdrfpdb/src-M/geomout.F
+++ b/source/xdrfpdb/src-M/geomout.F
@@ -98,7 +98,7 @@ c      endif
         if (iti.eq.ntyp1) then
           ichain=ichain+1
           ires=0
-          write (iunit,'(a)') 'TER'
+          if (iti_prev.ne.ntyp1) write (iunit,'(a)') 'TER'
         else
         ires=ires+1
         iatom=iatom+1
@@ -113,6 +113,7 @@ c      endif
 !     &      vtot(i+nres)
         endif
         endif
+        iti_prev=iti
       enddo
       write (iunit,'(a)') 'TER'
       do i=nnt,nct-1