From 4dcd9bdc2ecd34b7d3d4239a0d96832bc7d458b7 Mon Sep 17 00:00:00 2001 From: Berk Hess Date: Mon, 9 Jun 2014 16:25:57 +0200 Subject: [PATCH] Fixed perturbed wall interactions With free-energy calculations, the B-state wall force and potential were set to zero. Fixes #1501 Change-Id: Ib53073c19fee19979ade96455b6505001187a2fa --- src/mdlib/wall.c | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/mdlib/wall.c b/src/mdlib/wall.c index 3c0b904622..a9c2bec98f 100644 --- a/src/mdlib/wall.c +++ b/src/mdlib/wall.c @@ -162,7 +162,7 @@ real do_walls(t_inputrec *ir, t_forcerec *fr, matrix box, t_mdatoms *md, } else { - lamfac = 0; + lamfac = lambda; type = md->typeB; } } -- 2.22.0