Merge pull request #196 from akohlmey/charmm-cmap-updates
Some more cmap-related updates for ch2lmp
GitHub <noreply@github.com> | Oct 6 2016, 21:02 |
junge | Oct 19 2017, 09:53 |
Commit | Author | Details | Committed | |||
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d7d321a51249 | Axel Kohlmeyer | some more updates to the README file to reflect the inclusion of the CMAP… | Oct 6 2016 | |||
326fdf2cf13a | Axel Kohlmeyer | added 1GB1 example from Robert Latour and update 1AC7 example files | Oct 6 2016 | |||
f32819dd1086 | Axel Kohlmeyer | added tweak to write out the command line used for the conversion to the… | Oct 6 2016 | |||
c07a01c661d6 | Axel Kohlmeyer | import updated README file for charmm2lammps.pl with CMAP support | Oct 6 2016 |