GROMACS simulation: for system equilibration or data collection

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_sim/gmx_sim/2020.4+galaxy12020.4+galaxy1

Metadata

Servers Offering this Tool

UseGalaxy.eu (2020.4+galaxy1)

This is a guess, we are not currently checking if that is actually present.

Observed Tool Versions

Within GTN tutorials

2020.4+galaxy1
2020.2+galaxy0
2019.1.4.1

EDAM Operations

operation_2476

EDAM Topics

topic_0176

Relevant Tutorials

Computational chemistry / High Throughput Molecular Dynamics and Analysis
Computational chemistry / Running molecular dynamics simulations using GROMACS