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Don't silently accept genbox -nmol without -ci
author
Mark Abraham
<mark.j.abraham@gmail.com>
Tue, 14 Aug 2012 04:59:11 +0000
(14:59 +1000)
committer
Mark Abraham
<mark.j.abraham@gmail.com>
Tue, 14 Aug 2012 04:59:11 +0000
(14:59 +1000)
Change-Id: Ia50da1ee741eec9ea49ec04eb9fd14dd6b3116fc
src/tools/gmx_genbox.c
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diff --git
a/src/tools/gmx_genbox.c
b/src/tools/gmx_genbox.c
index 0621c660bb75545463a9c129afcd8ab5bc8c1a01..6e224e991daad150163051328e2bcbf7c1b308b8 100644
(file)
--- a/
src/tools/gmx_genbox.c
+++ b/
src/tools/gmx_genbox.c
@@
-743,6
+743,12
@@
int gmx_genbox(int argc,char *argv[])
if (bInsert && nmol_ins<=0)
gmx_fatal(FARGS,"When specifying inserted molecules (-ci), "
"-nmol must be larger than 0");
+ if (!bInsert && nmol_ins > 0)
+ {
+ gmx_fatal(FARGS,
+ "You tried to insert molecules with -nmol, but did not supply "
+ "a molecule to insert with -ci.");
+ }
if (!bProt && !bBox)
gmx_fatal(FARGS,"When no solute (-cp) is specified, "
"a box size (-box) must be specified");