Fix for trjconv preserving box dimensions.
authorJustin Lemkul <jalemkul@vt.edu>
Wed, 3 Sep 2014 12:23:43 +0000 (08:23 -0400)
committerJustin Lemkul <jalemkul@vt.edu>
Tue, 5 May 2015 14:34:59 +0000 (16:34 +0200)
commit28e289ba71cb3c64f216aa5262335956a78da6eb
tree00701a220c3f70f061d02854a257fea6ed1c86bc
parent95c7de012d45b9e819e41cb99c8d5c66420550f6
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
src/gromacs/gmxana/gmx_trjconv.c