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(parent: 054a2bc) | patch
Disallow infinite epsilon with PME or GB.
authorErik Lindahl <erik@kth.se>
Fri, 19 Jun 2015 08:20:23 +0000 (10:20 +0200)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Sat, 20 Jun 2015 18:09:17 +0000 (20:09 +0200)
commitaf3e1a130ba51c5752b2e46fd295d1048309f8cc
treea12cdda9f35b2935482a7341380a711304262030tree | snapshot
parent054a2bc82a9d1cec3277fcda8dd6bb62df332c7dcommit | diff
Disallow infinite epsilon with PME or GB.

This leads to divide-by-zero errors, and since it just turns off
electrostatics it will be faster to use a plain cutoff, which we
now recommend instead.

Fixes #1297.

Change-Id: Ia5eba7a1d4bd3b387174c9cb4878a2d65ead2c6c
src/gromacs/gmxpreprocess/readir.c diff | blob | history
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