Molecular simulator for proteins that uses Go-type potentials
-
Updated
Jun 22, 2011 - C
Molecular simulator for proteins that uses Go-type potentials
Python package for commonly used molecular simulation functions.
A simplified implementation of Effective Fragment Potential (EFP) is provided, considering only the electrostatic and induction terms. Significant mathematical assistance was obtained from https://github.com/ilyak/libefp.
course project for HPPC
Add a description, image, and links to the molecular-simulation topic page so that developers can more easily learn about it.
To associate your repository with the molecular-simulation topic, visit your repo's landing page and select "manage topics."