UNRES caly zmienione 21 na ntyp1

[unres.git] / source / cluster / wham / src / readpdb.f

diff --git a/source/cluster/wham/src/readpdb.f b/source/cluster/wham/src/readpdb.f
index de5811c..8b6cb80 100644 (file)
--- 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