GitHub

OSGConnect/TOREVIEW-tutorial-gromacs

GROMACS is a molecular dynamics simulation program. In this tutorial, we learn how to run GROMACS simulations on the OSG. Our example system is a 1CTA protein dimer in implicit water. It is easiest to ...
Europe PMC

Introductory Tutorials for Simulating Protein Dynamics with GROMACS.

Here, we present a set of introductory tutorials for performing MD simulations of proteins in the popular, open-source GROMACS package. Three exercises are detailed, including simulating a single ...
GitHub

README.md

This repository contains a collection of tutorials for simulating molecular dynamics using GROMACS (GROningen MAchine for Chemical Simulations). The step-by-step instructions and explanations can be ...
C&EN

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

† Department of Molecular Biosciences and Center for Computational Biology, The University of Kansas, Lawrence, Kansas 66047, United States ‡ Department of Chemistry and Chemical Biology, Rutgers ...