From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Fri, 29 Apr 2016 20:33:23 +0000 (+0200)
Subject: DIST2_CUT correction
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=commitdiff_plain;h=704f5e118547ecaa66556599d5d9001bacb7448c;p=unres.git

DIST2_CUT correction

affects also different set of restraints from different models
without DIST2_CUT
---

diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F
index 168a000..a91710d 100644
--- a/source/unres/src_MD/energy_p_new_barrier.F
+++ b/source/unres/src_MD/energy_p_new_barrier.F
@@ -6070,7 +6070,18 @@ c
            endif
          enddo
          
-         min_odl=minval(distancek)
+
+c         min_odl=minval(distancek)
+         do kk=1,constr_homology
+          if(l_homo(kk,ii)) then 
+            min_odl=distancek(kk)
+            exit
+          endif
+         enddo
+         do kk=1,constr_homology
+          if(l_homo(kk,ii) .and. distancek(kk).lt.min_odl) 
+     &              min_odl=distancek(kk)
+         enddo
 c        write (iout,* )"min_odl",min_odl
 #ifdef DEBUG
          write (iout,*) "ij dij",i,j,dij