| commit | 25609d80adc88db52c52dc7614219a088055b81e | |
| author | James W. Barnett <jbarnet4@tulane.edu> | |
| Wed, 9 Mar 2016 18:28:15 +0000 (9 12:28 -0600) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 31 Mar 2016 01:28:27 +0000 (31 03:28 +0200) | ||
| tree | 210ef6f8885dc517bd2d482075dc427f21ea26e3 | treesnapshot (tar.gz zip) |
| parent | 44d8bb87094893267cfb99471d8b8917fc49df45 | commitdiff |
Revert behavior for handling SETTLE errors
SETTLE errors were changed to fatal in 5.1.2. This causes problems with
minimization of some systems, since a SETTLE error is likely to occur at the
beginning of the minimization. This commit reverts that such that
it only issues a warning as before.
Fixes #1915.
Change-Id: I43ea1878cb61aecf5ae2c5ebcc67fcbda27ba50f
SETTLE errors were changed to fatal in 5.1.2. This causes problems with
minimization of some systems, since a SETTLE error is likely to occur at the
beginning of the minimization. This commit reverts that such that
it only issues a warning as before.
Fixes #1915.
Change-Id: I43ea1878cb61aecf5ae2c5ebcc67fcbda27ba50f
| src/gromacs/mdlib/constr.cpp | diffblobblamehistory |