pierwsza proba merga devela do adasko

[unres.git] / source / unres / src_MD / readpdb.F

diff --git a/source/unres/src_MD/readpdb.F b/source/unres/src_MD/readpdb.F
index 48e0abd..08c1c23 100644 (file)
--- a/source/unres/src_MD/readpdb.F
+++ b/source/unres/src_MD/readpdb.F
@@ -64,7 +64,7 @@ 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
@@ -104,7 +104,7 @@ 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 2/15/2013 by Adam: corrected insertion of the last dummy residue
           call refsys(nres-3,nres-2,nres-1,e1,e2,e3,fail)
@@ -133,7 +133,7 @@ C 2/15/2013 by Adam: corrected insertion of the last dummy residue
         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