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Sat, Nov 23, 23:08
The USER-MSCG package adds a fix mscg command, which carries out
multi-scale coarse-graining for the parameterization of coarse-grained
(CG) interactions.
It uses the Multi-Scale Coarse-Graining (MS-CG) library, available at
https://github.com/uchicago-voth/MSCG-release. The MSCG library was
developed by Jacob Wagner in Greg Voth's group at the University of
Chicago.
The library can be downloaded and built in lib/mscg or elsewhere on
your system, which must be done before bulding LAMMPS with this
package. Details of the download, build, and install process for MSCG
are given in the lib/mscg/README file. Also see the LAMMPS manual for
general information on building LAMMPS with external libraries. The
settings in the Makefile.lammps file in lib/mscg must be correct for
LAMMPS to build correctly with this package installed.
There are example scripts for using this package in examples/mscg.

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