X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD%2Freadpdb.F;fp=source%2Fwham%2Fsrc-HCD%2Freadpdb.F;h=855d7545243e0f1bf49137db99c603fcb68b0015;hb=fd10e81284102e5a8466e05c87f0202979a2f00b;hp=59932919fedd3f9d36ca23ff4ca2e3176e2d1834;hpb=15cbe2fc81082e6828fa504b3b22499600134b54;p=unres.git

diff --git a/source/wham/src-HCD/readpdb.F b/source/wham/src-HCD/readpdb.F
index 5993291..855d754 100644
--- 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