M

Molecular Dynamics Simulations

NAMD is a parallel molecular dynamics code for large biomolecular systems. NAMD is free with source code.

mdinterface: A Python package to build interface systems for Molecular Dynamics simulations

Implementation of a Langevin bath and DPD solvent, analysis of its properties and comparison of the results obtained using these two models. Based on a Molecular Dynamics code previously developed, modified to get a Langevin Dynamics (LD) code and then, a Dissipative Particle Dynamics (DPD) code for a simple fluid.

HTMD