GROMACS initial setup: of topology and GRO structure file

Metadata

Links

• bio.tools: Gromacs

EDAM Operations

• Molecular dynamics

EDAM Topics

• Molecular dynamics

Observed Tool Versions

Within GTN tutorials

2020.4+galaxy0

• UseGalaxy.eu ⭐️
• UseGalaxy.org (Main) ⭐️
• UseGalaxy.org.au ⭐️

2020.2+galaxy0

• UseGalaxy.eu ⭐️
• UseGalaxy.org (Main) ⭐️
• UseGalaxy.org.au ⭐️
• UseGalaxy.be
• UseGalaxy.no

2019.1.4

• UseGalaxy.eu ⭐️
• UseGalaxy.org (Main) ⭐️
• UseGalaxy.org.au ⭐️
• UseGalaxy.be

Relevant Tutorials

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