GROMACS energy minimization: of the system prior to equilibration and production MD

toolshed.g2.bx.psu.edu/repos/chemteam/gmx_em/gmx_em/2020.4+galaxy02020.4+galaxy0

Metadata

Servers Offering this Tool

UseGalaxy.eu (2020.4+galaxy0)

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

Observed Tool Versions

Within GTN tutorials

2020.4+galaxy0
2020.2+galaxy0
2019.1.4

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