GitHub / c-vandenberg / gromacs-tutorials
Introductory GROMACS project that sets up the topology, energy minimisation, NVT and NPT equilibration and molecular dynamics simulation of the small protein 'Coagulation Factor Xa' in ionised water.
JSON API: http://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/c-vandenberg%2Fgromacs-tutorials
PURL: pkg:github/c-vandenberg/gromacs-tutorials
Stars: 0
Forks: 0
Open issues: 0
License: None
Language: Jupyter Notebook
Size: 79.3 MB
Dependencies parsed at: Pending
Created at: over 1 year ago
Updated at: 10 months ago
Pushed at: 11 months ago
Last synced at: 2 months ago
Topics: energy-minimization, gromacs, molecular-dynamics, python