- May 13, 2016
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Carlo Camilloni authored
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- May 10, 2016
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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alejogiley authored
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- May 09, 2016
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
- METAD: exit with error if used - PBMETAD: gives a warning and deactivate the interval for the specific variable close #181
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Giovanni authored
Added an option in OFile to enforce backup of files even if restarting
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- May 08, 2016
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Omar Valsson authored
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- May 06, 2016
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Gareth Tribello authored
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Gareth Tribello authored
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- May 05, 2016
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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- May 03, 2016
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Giovanni Bussi authored
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- May 02, 2016
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alejogiley authored
basic/rt65 (I only use a short 10 frame traj - GB)
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Giovanni Bussi authored
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- Apr 28, 2016
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Gareth Tribello authored
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Gareth Tribello authored
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Gareth Tribello authored
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- Apr 27, 2016
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Carlo Camilloni authored
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Carlo Camilloni authored
[makedoc]
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Carlo Camilloni authored
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Carlo Camilloni authored
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- Apr 26, 2016
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Gareth Tribello authored
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Carlo Camilloni authored
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Carlo Camilloni authored
[makedoc]
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Carlo Camilloni authored
[makedoc] close #21
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Carlo Camilloni authored
- added the restart from grid to PBMETAD - more error checking
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Carlo Camilloni authored
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Carlo Camilloni authored
- when restart from GRID (RGRID+RESTART) doens't read the HILLS (but continue to append) - if not restart then the HILLS are added to the existing GRID - the grid is not external anymore, in this way when you write the grid you write the total one - grid files are written only once in case of multiple walkers NOTE: the grid is not modified for the BIASFACTOR because the BIASFACTOR is not currently stored in the grid, this means that if you restart from a grid
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
(courtesy of Andrea Cesari)
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Gareth Tribello authored
Made it so that you can inherit from DRMSD to make it easy to make new combinations of DRSMD distances
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Giovanni Bussi authored