From 704f5e118547ecaa66556599d5d9001bacb7448c Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Fri, 29 Apr 2016 22:33:23 +0200 Subject: [PATCH] DIST2_CUT correction affects also different set of restraints from different models without DIST2_CUT --- source/unres/src_MD/energy_p_new_barrier.F | 13 ++++++++++++- 1 file changed, 12 insertions(+), 1 deletion(-) 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 -- 1.7.9.5