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gromacs_mddb

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GROMACS is a versatile package to perform molecular dynamics.

Installation

To install this package, run one of the following:

Conda
$conda install bioconda::gromacs_mddb

Usage Tracking

2025.3
1 / 8 versions selected
Downloads (Last 6 months): 0

Description

Development version of GROMACS in colaboration to MDDB to add the possibility to export tpr to json.

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers.

About

Summary

GROMACS is a versatile package to perform molecular dynamics.

Last Updated

Oct 16, 2025 at 10:11

License

LGPL-2.1-or-later

Total Downloads

630

Supported Platforms

linux-64