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gmx_isa

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GROMACS Interaction Stability & Analysis with QM/MM workflows

Installation

To install this package, run one of the following:

Conda
$conda install apmesq::gmx_isa

Usage Tracking

0.5.0
1 / 8 versions selected
Downloads (Last 6 months): 0

Description

Automated tool for GROMACS trajectory analysis, including statistics, plotting, and QM/MM integration via xTB.

About

Summary

GROMACS Interaction Stability & Analysis with QM/MM workflows

Last Updated

Jan 9, 2026 at 14:04

License

MIT

Supported Platforms

linux-64