From: Adam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Date: Sun, 4 Jan 2015 11:33:52 +0000 (+0100)
Subject: poprawka gradientu w CSA
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=641d04ddae7b3a57c3c949f3f980374896c94b58

poprawka gradientu w CSA
---

diff --git a/source/unres/src_CSA/energy_p_new_barrier.F b/source/unres/src_CSA/energy_p_new_barrier.F
index 73bb4d6..4ca78f8 100644
--- a/source/unres/src_CSA/energy_p_new_barrier.F
+++ b/source/unres/src_CSA/energy_p_new_barrier.F
@@ -5908,7 +5908,7 @@ c      write (iout,*) "EBACK_SC_COR",i,esccor,intertyp
      &  restyp(itype(i-2)),i-2,restyp(itype(i-1)),i-1,isccori,isccori1,
      &  (v1sccor(j,intertyp,isccori,isccori1),j=1,6)
      & ,(v2sccor(j,intertyp,isccori,isccori1),j=1,6)
-        gsccor_loc(i-3)=gsccor_loc(i-3)+gloci
+C        gsccor_loc(i-3)=gsccor_loc(i-3)+gloci
        enddo !intertyp
       enddo