Adam's corrections

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

diff --git a/source/wham/src-HCD/readpdb.F b/source/wham/src-HCD/readpdb.F
index 5993291..855d754 100644 (file)
--- a/source/wham/src-HCD/readpdb.F
+++ b/source/wham/src-HCD/readpdb.F
@@ -23,6 +23,7 @@ C geometry.
       logical lsecondary
       integer iterter(maxres)
       double precision efree_temp
+      iii=0
       ibeg=1
       ishift1=0
       do
@@ -53,6 +54,7 @@ C geometry.
           itype(ires_old-1)=ntyp1
           iterter(ires_old-1)=1
           itype(ires_old)=ntyp1
+          iterter(ires_old)=1
           ishift1=ishift1+1
           ibeg=2
 !          write (iout,*) "Chain ended",ires,ishift,ires_old
@@ -63,7 +65,7 @@ C geometry.
           else
             call sccenter(ires,iii,sccor)
           endif
-c          iii=0
+          iii=0
         endif
 ! Read free energy
         if (index(card,"FREE ENERGY").gt.0) read(card(35:),*) efree_temp