| commit | eeee7d5841015bcca81bdcdfe86f384c77c70896 | |
| author | Paul Bauer <paul.bauer.q@gmail.com> | |
| Tue, 5 Feb 2019 14:55:55 +0000 (5 15:55 +0100) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Wed, 13 Feb 2019 09:51:18 +0000 (13 10:51 +0100) | ||
| tree | 08015a383e1daf8546e99260ccd5344fc7656860 | treesnapshot (tar.gz zip) |
| parent | 13f60c8aa0ba2fd60fe2f2e57b480ec93a9a0539 | commitdiff |
Move simulated tempering default setting
Setting the default value for the simulated tempering when nstexpanded
was not specified in the mdp file was done before the values for the
temperature coupling are known. Moved this to a new location where the
value is known instead.
Added message to user in this case.
Refs #2754
Change-Id: I194829d5a817019da6d63a075e0dd7f4af8a4735
Setting the default value for the simulated tempering when nstexpanded
was not specified in the mdp file was done before the values for the
temperature coupling are known. Moved this to a new location where the
value is known instead.
Added message to user in this case.
Refs #2754
Change-Id: I194829d5a817019da6d63a075e0dd7f4af8a4735
| src/gromacs/gmxpreprocess/readir.cpp | diffblobblamehistory |