biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: 8d151a8) | patch
Fix grompp position restraint reference check
authorBerk Hess <hess@kth.se>
Thu, 25 Mar 2021 09:21:51 +0000 (09:21 +0000)
committerMark Abraham <mark.j.abraham@gmail.com>
Thu, 25 Mar 2021 09:21:51 +0000 (09:21 +0000)
commit0c7124d735f8e9a84df5512c389101de79705e2b
tree6d97f7f4a1a7772012f8fc9babcf54e8d618d1d9tree | snapshot
parent8d151a82e63dfa106224a749fad3585ac4de663acommit | diff
Fix grompp position restraint reference check

The check for position restraints and absolute reference always
produced a warning, also only with position restraints.

Fixes #3996
docs/release-notes/2021/2021.2.rst diff | blob | history
src/gromacs/gmxpreprocess/readir.cpp diff | blob | history
Local GROMACS mirror with custom stuff