- Oct 04, 2016
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Giovanni Bussi authored
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- Sep 15, 2016
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Carlo Camilloni authored
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- Jun 15, 2016
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Giovanni Bussi authored
With -hrex, there was a term missing in the acceptance. This is fixed now.
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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
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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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- 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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- Dec 29, 2014
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Carlo Camilloni 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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- Jan 13, 2014
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Giovanni Bussi authored
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- Sep 26, 2013
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Giovanni Bussi authored
The contribution from gromacs (DeltaP*DeltaV) should not be counted with hrex. Indeed, this term is already included in the foreign energy calculation.
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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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