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

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Files for gmx-pes, version 0.0.1a1
Filename, size	File type	Python version	Upload date	Hashes
Filename, size gmx_pes-0.0.1a1-py3-none-any.whl (4.8 kB)	File type Wheel	Python version py3	Upload date Jul 25, 2018	Hashes View
Filename, size gmx_pes-0.0.1a1.tar.gz (15.6 kB)	File type Source	Python version None	Upload date Jul 25, 2018	Hashes View

Hashes for gmx_pes-0.0.1a1-py3-none-any.whl
Algorithm	Hash digest
SHA256	`4fde0936902b1808c81ef1d3e45b41354bdf86ad00e6fc2fab8518b0fcff33fa`
MD5	`eef38c963e344743077629008d096f5d`
BLAKE2-256	`8a3b74b6f5b61f4a84ddf551a79b87e110897070cd3663be708f0ad7c558c5c1`

Hashes for gmx_pes-0.0.1a1.tar.gz
Algorithm	Hash digest
SHA256	`ec8d1cbde30d48491dd33f7a212f2f33a0406ecd96b0f7789630918176fbcb85`
MD5	`370002311d327f895b3756e2a5c13e42`
BLAKE2-256	`6279fa4c48fa14ab9e120e5e0e477579eec9ce6d2fcef3756cddfb7bac4dae2a`