X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fminim.F90;h=4d3115c2978a46f34e28339b876c7ab6754d5370;hb=a280f55746ca567cfd02f1184da61a28fbe9ebc7;hp=a096a62872cccd1987d3ee9ab7199a2365bb555e;hpb=df2469d9ac903d93889867f4e50e9bf6c428c1c6;p=unres4.git

diff --git a/source/unres/minim.F90 b/source/unres/minim.F90
index a096a62..4d3115c 100644
--- a/source/unres/minim.F90
+++ b/source/unres/minim.F90
@@ -4366,7 +4366,7 @@
 
 !     Don't do glycine or ends
       i=itype(res_pick,1)
-      if (i.eq.10 .or. i.eq.ntyp1) return
+      if (i.eq.10 .or. i.eq.ntyp1 .or. molnum(res_pick).eq.5) return
 
 !     Freeze everything (later will relax only selected side-chains)
       mask_r=.true.
@@ -4383,7 +4383,8 @@
       nres_moved=0
       do i=2,nres-1
 !     Don't do glycine (itype(j,1)==10)
-        if (itype(i,1).ne.10) then
+        if ((itype(i,1).ne.10).and.(itype(i,1).ne.ntyp1) &
+        .and.(molnum(i).ne.5)) then
           sc_dist=dist(nres+i,nres+res_pick)
         else
           sc_dist=sc_dist_cutoff