X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc%2Freadpdb.f;fp=source%2Fcluster%2Fwham%2Fsrc%2Freadpdb.f;h=8b6cb80ca0038447d95cff693b24553f158fd06f;hb=5b0e27e99ac1e61b8b155f3cc6351fac58c391ca;hp=de5811c474f998585a430b01fbe4d0d50fc6ae62;hpb=664d495e70d14eed4e97f7b8efd2e107dee2fd4e;p=unres.git

diff --git a/source/cluster/wham/src/readpdb.f b/source/cluster/wham/src/readpdb.f
index de5811c..8b6cb80 100644
--- a/source/cluster/wham/src/readpdb.f
+++ b/source/cluster/wham/src/readpdb.f
@@ -31,7 +31,7 @@ C Start new residue.
               ishift=ires-1
               if (res.ne.'GLY' .and. res.ne. 'ACE') then
                 ishift=ishift-1
-                itype(1)=21
+                itype(1)=ntyp1
               endif
               ibeg=0          
             endif
@@ -63,7 +63,7 @@ C Calculate the CM of the last side chain.
       nstart_sup=1
       if (itype(nres).ne.10) then
         nres=nres+1
-        itype(nres)=21
+        itype(nres)=ntyp1
         do j=1,3
           dcj=c(j,nres-2)-c(j,nres-3)
           c(j,nres)=c(j,nres-1)+dcj
@@ -79,7 +79,7 @@ C Calculate the CM of the last side chain.
         c(j,nres+1)=c(j,1)
         c(j,2*nres)=c(j,nres)
       enddo
-      if (itype(1).eq.21) then
+      if (itype(1).eq.ntyp1) then
         nsup=nsup-1
         nstart_sup=2
         do j=1,3