| commit | 2a77f97d289c089ec4e7ec6af75a73d9c2f5b08f | |
| author | Magnus Lundborg <lundborg.magnus@gmail.com> | |
| Fri, 21 Sep 2018 07:14:41 +0000 (21 09:14 +0200) | ||
| committer | Magnus Lundborg <lundborg.magnus@gmail.com> | |
| Fri, 21 Sep 2018 07:14:41 +0000 (21 09:14 +0200) | ||
| tree | 2673384b43d9d5d400a3c228744e89e61bce9200 | treesnapshot (tar.gz zip) |
| parent | ed115d2e54fddb6d3cc6844e6136eec669d49526 | commitdiff |
Fixes a bug in pull group size calculation
The wrong atom indexes were used when checking the coordinates
of atoms in a pull group (commit aa102e691d59b4de37c8e4).
That lead to false reports of too large pull group
(and presumably false negatives). This fixes the problem.
Refs #2397
Change-Id: Ib7d7e648204c0d1b219714610de7fb5842713048
The wrong atom indexes were used when checking the coordinates
of atoms in a pull group (commit aa102e691d59b4de37c8e4).
That lead to false reports of too large pull group
(and presumably false negatives). This fixes the problem.
Refs #2397
Change-Id: Ib7d7e648204c0d1b219714610de7fb5842713048
| src/gromacs/pulling/pullutil.cpp | diffblobblamehistory |