From 65b670d78bae7c2df18f3465fdad7b4f13490e33 Mon Sep 17 00:00:00 2001 From: Adam Sieradzan Date: Fri, 17 Jul 2015 14:16:20 +0200 Subject: [PATCH] bug fix in SCcorr gradient --- source/unres/energy.f90 | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/source/unres/energy.f90 b/source/unres/energy.f90 index ba167a1..59b09b7 100644 --- a/source/unres/energy.f90 +++ b/source/unres/energy.f90 @@ -14089,6 +14089,11 @@ write(iout,*) "jestesmy sobie w check eint!!" endif enddo !alculate derivative of Tauangle + do i=1,nres-1 + do j=1,3 + dc_norm2(j,i+nres)=-dc_norm(j,i+nres) + enddo + enddo #ifdef PARINTDER do i=itau_start,itau_end #else -- 1.7.9.5