From 67e8c964e660f7e231122dc41b1478c27652ccf8 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Wed, 22 Feb 2017 10:38:36 +0100 Subject: [PATCH] fix checkgrad usampl conflict with homology --- source/unres/src_MD-M/unres.F | 2 ++ 1 file changed, 2 insertions(+) diff --git a/source/unres/src_MD-M/unres.F b/source/unres/src_MD-M/unres.F index 03576c4..0e924f7 100644 --- a/source/unres/src_MD-M/unres.F +++ b/source/unres/src_MD-M/unres.F @@ -730,10 +730,12 @@ c enddo c do j=1,3 c dc(j,0)=ran_number(-0.2d0,0.2d0) c enddo + if (constr_homology.eq.0) then usampl=.true. totT=1.d0 eq_time=0.0d0 call read_fragments + endif call chainbuild_cart call cartprint call intout -- 1.7.9.5