From 44164f60ed5730e8becef6f8c371896f22bb36dd Mon Sep 17 00:00:00 2001 From: Berk Hess Date: Wed, 24 Feb 2010 13:57:01 +0100 Subject: [PATCH] fixed pull constraint memory error causing always 100 iterations and something a hang --- src/mdlib/pull.c | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/mdlib/pull.c b/src/mdlib/pull.c index 58c7a57644..b0a6009517 100644 --- a/src/mdlib/pull.c +++ b/src/mdlib/pull.c @@ -674,7 +674,8 @@ static void do_constraint(t_pull *pull, t_mdatoms *md, t_pbc *pbc, { pgrp = &pull->grp[g]; - get_pullgrps_dr(pull,pbc,g,t,rinew[g],rjnew[g],-1,unc_ij); + get_pullgrps_dr(pull,pbc,g,t,rinew[g],rjnew[PULL_CYL(pull) ? g : 0], + -1,unc_ij); switch (pull->eGeom) { -- 2.11.4.GIT