biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: b18027e) | patch
Avoid NMR restraints calls for MTS levels > 0
authorBerk Hess <hess@kth.se>
Tue, 12 Jan 2021 07:38:38 +0000 (07:38 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Tue, 12 Jan 2021 07:38:38 +0000 (07:38 +0000)
commit5f13edf9ff324fd6e0574dbfa724ae0a7e34e8e3
tree77ae0dc6a80630002bc114c4692a88735e90dd17tree | snapshot
parentb18027e29c9b85a587ba5f51b2139995cdef60c9commit | diff
Avoid NMR restraints calls for MTS levels > 0

Distance and orientation restraint code was called for MTS levels > 0
whereas this should not happen.

Fixes #3863
src/gromacs/listed_forces/listed_forces.cpp diff | blob | history
Local GROMACS mirror with custom stuff