pyMD is a simple molecular dynamics package designed to make it easy to implement and test new ideas for molecular simulation. Currently, only non-periodic NVE and NVT trajectories are possible.
A molecular dynamics package in python
pip install py-MD==0.3.5
pyMD is a simple molecular dynamics package designed to make it easy to implement and test new ideas for molecular simulation. Currently, only non-periodic NVE and NVT trajectories are possible.