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(parent: 01e1203) | patch
Added warning for unnecessary soft-core
authorBerk Hess <hess@kth.se>
Thu, 13 Nov 2014 11:30:33 +0000 (12:30 +0100)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Mon, 1 Dec 2014 09:10:51 +0000 (10:10 +0100)
commita19ebef3a16638284d25b29e623b618beff811a8
treec24768c6ddfd91aba19c89c581b578d3de2ee0dctree | snapshot
parent01e12035f661194f3f2d7324de5cea65efd0fed5commit | diff
Added warning for unnecessary soft-core

The sc-coul mdp option is, presently, only active with lambda states.
grompp now issues a warning when using soft-core without Van der Waals
decoupling without lambda states.
Also fixed an incorrect twin-range grompp check with PME.

Refs #1421.

Change-Id: I0605fe0f735d69f96f478612a00434eccef6232f
src/gromacs/gmxpreprocess/readir.c diff | blob | history
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