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tangram_dummyatoms

Community

Easy to prepare MD inputs for metal systems

Installation

To install this package, run one of the following:

Conda
$conda install insilichem::tangram_dummyatoms

Usage Tracking

0.0.2
0.0.1
2 / 8 versions selected
Downloads (Last 6 months): 0

Description

Apply the Cationic Dummy Atom approach to parametrize metal-containing systems using the Ambertoools suite.

About

Summary

Easy to prepare MD inputs for metal systems

Last Updated

Feb 1, 2019 at 17:39

License

MIT

Total Downloads

188