biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: a591adc) | patch
Added fatal error for when people use energy files for computing dipoles. This
authorDavid van der Spoel <spoel@anfinsen.bmc.uu.se>
Thu, 9 Dec 2010 11:26:42 +0000 (12:26 +0100)
committerDavid van der Spoel <spoel@anfinsen.bmc.uu.se>
Thu, 9 Dec 2010 11:26:42 +0000 (12:26 +0100)
commite55e5609e3b1a24d8d9b98a4b467178d268c790b
tree5981a808c6ab9d33f293e21dfb855a206ff25fdbtree | snapshot
parenta591adc2cde3c6ee08aa99ba9da28ab00280c00fcommit | diff
Added fatal error for when people use energy files for computing dipoles. This
is broken due to the fact that the dipole is computed based on broken
molecules.
src/tools/gmx_dipoles.c diff | blob | history
Local GROMACS mirror with custom stuff