X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Freadpdb.F;fp=source%2Funres%2Fsrc_MD%2Freadpdb.F;h=1d8c3fb12c53553079841818647d43b617a83026;hb=5b0e27e99ac1e61b8b155f3cc6351fac58c391ca;hp=563941b7de7f6af5da47cdf386fb2e3271fc81ce;hpb=664d495e70d14eed4e97f7b8efd2e107dee2fd4e;p=unres.git

diff --git a/source/unres/src_MD/readpdb.F b/source/unres/src_MD/readpdb.F
index 563941b..1d8c3fb 100644
--- a/source/unres/src_MD/readpdb.F
+++ b/source/unres/src_MD/readpdb.F
@@ -62,7 +62,7 @@ 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
@@ -102,7 +102,7 @@ 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
         if (unres_pdb) then
           c(1,nres)=c(1,nres-1)+3.8d0
           c(2,nres)=c(2,nres-1)
@@ -124,7 +124,7 @@ 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
         if (unres_pdb) then