| commit | dc81be6b57397a69b9e9fb63269622259ac924c2 | |
| author | Teemu Murtola <teemu.murtola@cbr.su.se> | |
| Fri, 6 Nov 2009 11:49:21 +0000 (6 12:49 +0100) | ||
| committer | Teemu Murtola <teemu.murtola@cbr.su.se> | |
| Fri, 6 Nov 2009 12:14:51 +0000 (6 13:14 +0100) | ||
| tree | 00e2737f8736d721ae96739333dcd18b4e414119 | treesnapshot (tar.gz zip) |
| parent | 21a3695eb91e9a3452d59425a340b52c6852e8a6 | commitdiff |
Better g_energy -nmol behavior (bug #365).
The -nmol switch is now applied consistently to both XVG output and to
the calculated averages. The calculated total drift is also correctly
scaled with -nmol.
(backported commit 1c2fab9ceb04b8a8cb7e7c24b816861dea88ffdb)
The -nmol switch is now applied consistently to both XVG output and to
the calculated averages. The calculated total drift is also correctly
scaled with -nmol.
(backported commit 1c2fab9ceb04b8a8cb7e7c24b816861dea88ffdb)
| src/tools/gmx_energy.c | diffblobblamehistory |