| commit | 42cc1cd88129d6401dd4c19cf447c468b9e427a9 | |
| author | Berk Hess <hess@kth.se> | |
| Tue, 26 Jan 2016 09:19:41 +0000 (26 10:19 +0100) | ||
| committer | Gerrit Code Review <gerrit@gerrit.gromacs.org> | |
| Fri, 29 Jan 2016 09:06:18 +0000 (29 10:06 +0100) | ||
| tree | fa9e78e00ba89493a5ddbda7f118a94d7a4b41a9 | treesnapshot (tar.gz zip) |
| parent | a6f7cdb25e075f07a6c8e20a67e6e65859e56952 | commitdiff |
Add check for double perturbation
Added a check for changes atom charges and/or types through both
the topology and the couple-moltype option. The couple-moltype
option would override the topology settins for decoupled states.
Fixes #1892.
Change-Id: Ia3d4c0b175af0ad12b189c1b728aee25603afd4f
Added a check for changes atom charges and/or types through both
the topology and the couple-moltype option. The couple-moltype
option would override the topology settins for decoupled states.
Fixes #1892.
Change-Id: Ia3d4c0b175af0ad12b189c1b728aee25603afd4f
| src/gromacs/gmxpreprocess/toppush.c | diffblobblamehistory |