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7ddb6670c0
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fix typo
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2016-11-30 00:12:35 -05:00 |
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9e9d9d5aa5
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update bundled version of moltemplate to v1.40
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2016-11-21 11:34:42 -05:00 |
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93d393aa69
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permission cleanup in tools folder
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2016-10-28 10:48:35 -04:00 |
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54fc194e5b
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Merge pull request #199 from akohlmey/small-changes
Collected small changes and bugfixes
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2016-10-06 15:49:24 -06:00 |
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0853cdbe6f
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update reference data files for updated/corrected clayff parameters
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2016-10-06 11:47:08 -04:00 |
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22ce671804
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improved whitespace handling in msi2lmp for force fields and topologies
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2016-10-06 11:16:59 -04:00 |
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d7d321a512
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some more updates to the README file to reflect the inclusion of the CMAP example and renamed file names
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2016-10-05 18:41:45 -04:00 |
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326fdf2cf1
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added 1GB1 example from Robert Latour and update 1AC7 example files
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2016-10-05 18:20:09 -04:00 |
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f32819dd10
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added tweak to write out the command line used for the conversion to the beginning of the LAMMPS input
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2016-10-05 18:13:46 -04:00 |
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c07a01c661
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import updated README file for charmm2lammps.pl with CMAP support
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2016-10-05 18:11:52 -04:00 |
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6e719f2d94
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remove trailing whitespace
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2016-10-03 07:07:28 -04:00 |
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45d2cc2895
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permission update for ch2lmp tool folder
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2016-10-03 07:03:42 -04:00 |
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690f91300b
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rebuild charmm2lammps example output files with updated tools
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2016-10-03 06:58:51 -04:00 |
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3b94627dfe
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properly handle -nohints flag, make -cmap flag take version as option. step version number
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2016-10-03 06:52:30 -04:00 |
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c2e11dffa2
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import updated charmm2lammps.pl script from Rober Latour
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2016-10-02 20:33:20 -04:00 |
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