biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ commitdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
| commitdiff |
tree
raw
|
patch
| inline |
side by side
(parent:
fbc33ca
)
Disallow -skip values <= 0 for gmx trjconv.
author
Viveca Lindahl
<vivecalindahl@gmail.com>
Tue, 27 Mar 2018 10:37:33 +0000
(12:37 +0200)
committer
Mark Abraham
<mark.j.abraham@gmail.com>
Tue, 17 Apr 2018 15:41:38 +0000
(17:41 +0200)
Fixes #2467
Change-Id: Ic8b1892c454100bf4d5668b1c55b33ec6fbff4a2
src/gromacs/gmxana/gmx_trjconv.cpp
patch
|
blob
|
history
diff --git
a/src/gromacs/gmxana/gmx_trjconv.cpp
b/src/gromacs/gmxana/gmx_trjconv.cpp
index f3b1bfdacce7a191afcaace621dc7043b4fd05ce..bbdf5aa04575b4e92bd3a34f3c6ea4d0ebd1e188 100644
(file)
--- a/
src/gromacs/gmxana/gmx_trjconv.cpp
+++ b/
src/gromacs/gmxana/gmx_trjconv.cpp
@@
-1080,6
+1080,7
@@
int gmx_trjconv(int argc, char *argv[])
/* skipping */
if (skip_nr <= 0)
{
+ gmx_fatal(FARGS, "Argument for -skip (%d) needs to be greater or equal to 1.", skip_nr);
}
std::unique_ptr<gmx_mtop_t> mtop = read_mtop_for_tng(top_file, in_file, out_file);