From 77ea7f5387d39b9e595b88819c5325e0336d7315 Mon Sep 17 00:00:00 2001 From: Berk Hess Date: Wed, 17 Aug 2016 15:35:05 +0200 Subject: [PATCH] Fixed opening of wall table files Fixes #2033. Change-Id: Ie5092476f021d0578bbcbd84c7e4f895959fd06e --- src/gromacs/mdlib/wall.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/gromacs/mdlib/wall.cpp b/src/gromacs/mdlib/wall.cpp index 951c9890f7..7d095caff9 100644 --- a/src/gromacs/mdlib/wall.cpp +++ b/src/gromacs/mdlib/wall.cpp @@ -83,13 +83,13 @@ void make_wall_tables(FILE *fplog, /* If the energy group pair is excluded, we don't need a table */ if (!(fr->egp_flags[egp*ir->opts.ngener+negp_pp+w] & EGP_EXCL)) { - fr->wall_tab[w][egp] = make_tables(fplog, fr, buf, 0, - GMX_MAKETABLES_FORCEUSER); sprintf(buf, "%s", tabfn); sprintf(buf + strlen(tabfn) - strlen(ftp2ext(efXVG)) - 1, "_%s_%s.%s", *groups->grpname[nm_ind[egp]], *groups->grpname[nm_ind[negp_pp+w]], ftp2ext(efXVG)); + fr->wall_tab[w][egp] = make_tables(fplog, fr, buf, 0, + GMX_MAKETABLES_FORCEUSER); /* Since wall have no charge, we can compress the table */ for (int i = 0; i <= fr->wall_tab[w][egp]->n; i++) -- 2.11.4.GIT