| commit | 28e289ba71cb3c64f216aa5262335956a78da6eb | |
| author | Justin Lemkul <jalemkul@vt.edu> | |
| Wed, 3 Sep 2014 12:23:43 +0000 (3 08:23 -0400) | ||
| committer | Justin Lemkul <jalemkul@vt.edu> | |
| Tue, 5 May 2015 14:34:59 +0000 (5 16:34 +0200) | ||
| tree | 00701a220c3f70f061d02854a257fea6ed1c86bc | treesnapshot (tar.gz zip) |
| parent | 95c7de012d45b9e819e41cb99c8d5c66420550f6 | commitdiff |
Fix for trjconv preserving box dimensions.
When using -1 in the -box specification, box vectors were
instead set to zero rather than being preserved due to
clear_mat(fr.box). Now, fr.box is conditionally cleared to
prevent this. A fatal error is triggered if the user is
trying to preserve a non-existent box to avoid repeating the
undesired behavior.
Change-Id: I7484c33a7db445e0ad7cf21b2694150eee9ef768
When using -1 in the -box specification, box vectors were
instead set to zero rather than being preserved due to
clear_mat(fr.box). Now, fr.box is conditionally cleared to
prevent this. A fatal error is triggered if the user is
trying to preserve a non-existent box to avoid repeating the
undesired behavior.
Change-Id: I7484c33a7db445e0ad7cf21b2694150eee9ef768
| src/gromacs/gmxana/gmx_trjconv.c | diffblobblamehistory |