A package to compare Potential Energy Surfaces in Gromacs

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License: GNU General Public License v3 or later (GPLv3+)

Author: Elton Carvalho

Requires: Python >=3.5

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# gmx_pes

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

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License: GNU General Public License v3 or later (GPLv3+)

Author: Elton Carvalho

Requires: Python >=3.5

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0.0.1a1 pre-release

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