| commit | b241f99ef2590081ea9bbc393b81aa4a72e2a83c | |
| author | Teemu Murtola <teemu.murtola@gmail.com> | |
| Thu, 29 Jun 2017 15:08:34 +0000 (29 18:08 +0300) | ||
| committer | Teemu Murtola <teemu.murtola@gmail.com> | |
| Thu, 6 Jul 2017 10:37:44 +0000 (6 12:37 +0200) | ||
| tree | baef5407ad7ba8ac163a80b86e2b75c58380b70c | treesnapshot (tar.gz zip) |
| parent | 25f9763a925e5c99f811be30c6654704b2e57f53 | commitdiff |
Detect unknown mdp options in gmx dump/check
Make gmx dump and gmx check fail gracefully if an input tpr file has
options that are not known to the current code, instead of silently
ignoring them. gmx dump -orgir can still write out such files.
mdrun is using a different path (at least for now) that failed also
previously.
Change-Id: Ib61b03bb44c1510b03543f6e558caca5d44cb84d
Make gmx dump and gmx check fail gracefully if an input tpr file has
options that are not known to the current code, instead of silently
ignoring them. gmx dump -orgir can still write out such files.
mdrun is using a different path (at least for now) that failed also
previously.
Change-Id: Ib61b03bb44c1510b03543f6e558caca5d44cb84d