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Merge pull request #196 from akohlmey/charmm-cmap-updates

Authored by sjplimp <sjplimp@sandia.gov> on Oct 6 2016, 21:02.

Description

Merge pull request #196 from akohlmey/charmm-cmap-updates

Some more cmap-related updates for ch2lmp

Event Timeline

GitHub <noreply@github.com> committed rLAMMPS0f45cd61a542: Merge pull request #196 from akohlmey/charmm-cmap-updates (authored by sjplimp <sjplimp@sandia.gov>).Oct 6 2016, 21:02

Merged Changes

CommitAuthorDetailsCommitted
d7d321a51249Axel Kohlmeyer
some more updates to the README file to reflect the inclusion of the CMAP… 
Oct 6 2016
326fdf2cf13aAxel Kohlmeyer
added 1GB1 example from Robert Latour and update 1AC7 example files 
Oct 6 2016
f32819dd1086Axel Kohlmeyer
added tweak to write out the command line used for the conversion to the… 
Oct 6 2016
c07a01c661d6Axel Kohlmeyer
import updated README file for charmm2lammps.pl with CMAP support 
Oct 6 2016