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(parent: 5f5e94a) | patch
Fixed twin-range + freeze + constraints
authorBerk Hess <hess@kth.se>
Mon, 24 Nov 2014 14:36:13 +0000 (15:36 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Tue, 25 Nov 2014 23:37:39 +0000 (00:37 +0100)
commit405cc128e748b0bae802262953df742abf955139
tree5d588d36f7dbc1a2fcd0fa936283372abab84fa2tree | snapshot
parent5f5e94ad571b8e04081182af6e23c6960370fdf0commit | diff
Fixed twin-range + freeze + constraints

With twin-range cut-offs, atoms which are both frozen and constrained
would experience very large or NaN forces, leading to constraint
warnings and errors.
Fixes #1639.

Change-Id: I1871a87054fec1149c9ed75872451df79a8ac2d2
src/gromacs/mdlib/update.c diff | blob | history
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