- Mar 22, 2019
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Giovanni Bussi authored
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Giovanni Bussi authored
(backported from v2.5)
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- Nov 14, 2018
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carlocamilloni authored
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- Sep 21, 2018
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Giovanni Bussi authored
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- Mar 22, 2018
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carlocamilloni authored
it includes an additional modification to keep multisim in sync when using plumed
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carlocamilloni authored
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- Dec 14, 2017
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Giovanni Bussi authored
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- Dec 06, 2017
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carlocamilloni authored
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- Nov 15, 2017
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carlocamilloni authored
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- Nov 09, 2017
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carlocamilloni authored
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- Oct 03, 2017
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Giovanni Bussi authored
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- Sep 29, 2017
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carlocamilloni authored
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- Mar 14, 2017
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Carlo Camilloni authored
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- Nov 12, 2016
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Carlo Camilloni authored
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Carlo Camilloni authored
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- Aug 07, 2016
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Carlo Camilloni authored
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- Jun 22, 2016
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Carlo Camilloni authored
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- May 13, 2016
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Carlo Camilloni authored
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- Apr 07, 2016
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Giovanni Bussi authored
Volume data were not exchanged properly in hrex. Bug was appearing only when not using domain decomposition.
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- Mar 30, 2016
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Giovanni Bussi authored
some files where not up to date
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jul 07, 2015
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Carlo Camilloni authored
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Carlo Camilloni authored
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- May 20, 2015
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Carlo Camilloni authored
gromacs-5.1.0 beta patch
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- May 18, 2015
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Giovanni Bussi authored
This reverts commit b148b715.
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Giovanni Bussi authored
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- Apr 28, 2015
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Carlo Camilloni authored
gromacs-5.1.0 beta patch
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- Apr 23, 2015
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Giovanni Bussi authored
Notice that this only works with APIversion>2, that is with the to-be-released PLUMED 2.2
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- Mar 26, 2015
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Giovanni Bussi authored
Fixes a potential problem in the following commits: 423d49bf bb6178a2 (reported by C. Perego)
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- Mar 23, 2015
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Giovanni Bussi authored
Same as 423d49bf applied to gmx 5.0 Needs gromacs to be repatched
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Giovanni Bussi authored
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- Jul 23, 2014
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Carlo Camilloni authored
it should works, but more tests are needed
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- Jul 07, 2014
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Giovanni Bussi authored
Same as 55bc92d2 (written by Carlo), but in such a way that it results as a git mv
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- Jun 20, 2014
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Giovanni Bussi authored
I added the possibility to pass kbT from gromacs to plumed. To allow compatibility between old and new versions, I used the API number. Namely: gromacs checks that plumed API>1; if so, pass the temperature. KbT is only used in METAD so far (not in HISTOGRAM) Addresses #35
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- Jan 13, 2014
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Giovanni Bussi authored
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- Oct 19, 2013
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Carlo Camilloni authored
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- Sep 26, 2013
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Giovanni Bussi authored
This now allows to activate hrex from the command line: mdrun -hrex
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Giovanni Bussi authored
As of this commit, to patch with Hamiltonian replica exchange just use the gromacs-4.6.3 patch This will simplify keeping up to date with upstream changes in the patch.
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- Sep 25, 2013
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Giovanni Bussi authored
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