wham & cluster PBC

[unres.git] / source / cluster / wham / src-HCD / geomout.F

diff --git a/source/cluster/wham/src-HCD/geomout.F b/source/cluster/wham/src-HCD/geomout.F
index 4ef656f..be43686 100644 (file)
--- a/source/cluster/wham/src-HCD/geomout.F
+++ b/source/cluster/wham/src-HCD/geomout.F
@@ -17,12 +17,15 @@
       iatom=0
       ichain=1
       ires=0
+      iti_prev=0
       do i=nnt,nct
         iti=itype(i)
         if (iti.eq.ntyp1) then
-          ichain=ichain+1
           ires=0
-          write (ipdb,'(a)') 'TER'
+          if (iti_prev.ne.ntyp1) then
+            write (ipdb,'(a)') 'TER'
+            ichain=ichain+1
+          endif
         else
         ires=ires+1
         iatom=iatom+1
@@ -35,6 +38,7 @@
      &      ires,(c(j,nres+i),j=1,3),1.0d0,tempfac(2,i)
         endif
         endif
+        iti_prev=iti
       enddo
       write (ipdb,'(a)') 'TER'
       do i=nnt,nct-1