Files
lammps/examples/PACKAGES/bocs
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..
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This folder contains the files to run a NPT simulation of 1 site CG methanol
while employing a correction to the barostat.
The pair force was computed via the Multi-Scale Coarse-Graining method.
The resulting model was then iteratively pressure matched.
The model accurately reproduces both structural (RDF) and thermodynamic 
(Pressure-Volume EoS) properties of the underlying OPLS-AA model of methanol.