gmx-pes

A package to compare Potential Energy Surfaces in Gromacs

Project description

# gmx_pes

A module for testing GROMACS forcefield parameters by matching Potential Energy Surfaces.

This version

0.0.1a1 pre-release

Jul 25, 2018

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Uploaded Jul 25, 2018 source

Uploaded Jul 25, 2018 py3

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