- 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 25, 2013
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Giovanni Bussi authored
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