Metadata-Version: 2.0
Name: gmx-pes
Version: 0.0.1a1
Summary: A package to compare Potential Energy Surfaces in Gromacs
Home-page: https://pessoal.ect.ufrn.br/~elton.carvalho
Author: Elton Carvalho
Author-email: elton.carvalho@ect.ufrn.br
License: UNKNOWN
Description-Content-Type: text/markdown
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Operating System :: POSIX
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.5
Requires-Dist: pandas
Requires-Dist: panedr

# gmx_pes

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



