From: Adam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Date: Sat, 8 Jun 2019 21:23:54 +0000 (+0200)
Subject: Zmiany klaster - wylaczenia CA-CA dla DNA
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=76039fa2208f1d5791fab784c85e5ecd5cffd12a;p=unres4.git

Zmiany klaster - wylaczenia CA-CA dla DNA
---

diff --git a/source/cluster/io_clust.F90 b/source/cluster/io_clust.F90
index 79cb8d4..197a1a7 100644
--- a/source/cluster/io_clust.F90
+++ b/source/cluster/io_clust.F90
@@ -890,7 +890,7 @@
       do j=nnt+1,nct-1
         mnum=molnum(j)
         write (iout,*) "Check atom",j
-        if (mnum.eq.5) cycle
+        if (mnum.ne.1) cycle
         if (itype(j,mnum).eq.ntyp1_molec(mnum)) cycle
         if (itype(j+1,molnum(j+1)).eq.ntyp1_molec(molnum(j+1))) cycle
 
@@ -920,7 +920,7 @@
       do j=nnt,nct
         mnum=molnum(j)
         itj=itype(j,mnum)
-        if (mnum.eq.5) cycle
+        if (mnum.ne.1) cycle
         if (itype(j,1).ne.10 .and. (itype(j,mnum).ne.ntyp1_molec(mnum)) & 
             .and.  (vbld(nres+j)-dsc(iabs(itj))) &
                                   .gt.2.0d0) then