| commit | fea8651dd1a71dccc7d407ef1a59f5440db3a9e6 | |
| author | Berk Hess <hess@kth.se> | |
| Tue, 25 Jul 2017 17:26:13 +0000 (25 19:26 +0200) | ||
| committer | Berk Hess <hess@kth.se> | |
| Tue, 25 Jul 2017 17:31:23 +0000 (25 19:31 +0200) | ||
| tree | e5f89871ad6d620114b4ae184e326e45c14bba65 | treesnapshot (tar.gz zip) |
| parent | 5bef33832cd8a190e0a1c770371884296bc9b3a5 | commitdiff |
Fix bugs with orientation restraints
The orientation restraint initialization got moved to before the
initialization of the domain decomposition, which made the check
for domain decomposition fail.
Also fixed orientation restraints not working with the whole system
as fitting group.
Change-Id: If5b4659fa90c5d8e9106d260b530b47c735acb0e
The orientation restraint initialization got moved to before the
initialization of the domain decomposition, which made the check
for domain decomposition fail.
Also fixed orientation restraints not working with the whole system
as fitting group.
Change-Id: If5b4659fa90c5d8e9106d260b530b47c735acb0e
| src/gromacs/listed-forces/orires.cpp | diffblobblamehistory | |
| src/gromacs/mdlib/mdatoms.cpp | diffblobblamehistory |