From d57d91a983307925e95b524896d2441343e4cb8c Mon Sep 17 00:00:00 2001 From: Berk Hess Date: Tue, 2 Dec 2014 09:08:45 +0100 Subject: [PATCH] Clarified grompp pull error messages Change-Id: If0df3fcd0d034c4b4ced04eb32ed7bb74e596776 --- src/gromacs/gmxpreprocess/readpull.c | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/src/gromacs/gmxpreprocess/readpull.c b/src/gromacs/gmxpreprocess/readpull.c index aebd0d9e67..4ae7480f0f 100644 --- a/src/gromacs/gmxpreprocess/readpull.c +++ b/src/gromacs/gmxpreprocess/readpull.c @@ -210,7 +210,8 @@ char **read_pullparams(int *ninp_p, t_inpfile **inp_p, nscan = sscanf(groups, "%d %d %d", &pcrd->group[0], &pcrd->group[1], &idum); if (nscan != 2) { - fprintf(stderr, "ERROR: %s should have %d components\n", buf, 2); + fprintf(stderr, "ERROR: %s should contain %d pull group indices\n", + buf, 2); nerror++; } sprintf(buf, "pull-coord%d-origin", i); @@ -254,7 +255,7 @@ void make_pull_groups(t_pull *pull, if (strcmp(pgnames[g], "") == 0) { - gmx_fatal(FARGS, "Group pull_group%d required by grompp was undefined.", g); + gmx_fatal(FARGS, "Pull option pull_group%d required by grompp has not been set.", g); } ig = search_string(pgnames[g], grps->nr, gnames); -- 2.22.0