lammps

History

Steve Plimpton addd87c0f7 new Section package and start doc pages and build scripts		2017-05-04 11:22:20 -06:00
..
output_9Jan17	add fix mscg command, example, lib	2017-01-09 13:36:40 -07:00
README	add fix mscg command, example, lib	2017-01-09 13:36:40 -07:00
control.in	add fix mscg command, example, lib	2017-01-09 13:36:40 -07:00
data.meoh	add fix mscg command, example, lib	2017-01-09 13:36:40 -07:00
dump.meoh	add fix mscg command, example, lib	2017-01-09 13:36:40 -07:00
in.mscg	add fix mscg command, example, lib	2017-01-09 13:36:40 -07:00
log.31Mar17.g++.1	new Section package and start doc pages and build scripts	2017-05-04 11:22:20 -06:00

README

Running this example requires that LAMMPS be built with the MSCG
package and its fix mscg command.  The fix uses the Multi-Scale
Coarse-Graining (MS-CG) library, freely available at
https://github.com/uchicago-voth/MSCG-release, to compute optimized
coarse-grained force field parameters.  The MS-CG library was
developed by Jacob Wagner in Greg Voth's group at the University of
Chicago.

See the lib/mscg/README file for instructions on how to download and
install the MS-CG library for use with LAMMPS.