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orion_gmx_gpu

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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 openeye::orion_gmx_gpu

Usage Tracking

2023.3p2
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2022
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Downloads (Last 6 months): 0

Description

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

Nov 7, 2023 at 01:01

License

LGPL-2.1-or-later

Total Downloads

4.8K