There are 2 repositories under charmm topic.
OFFICIAL: AnteChamber PYthon Parser interfacE
a python package for the interfacial analysis of molecular simulations
Framework for the rapid modeling glycans and glycoproteins.
Self explained tutorial for molecular dynamics simulation using gromacs
TcL/VMD/psfgen/bash scripts for generating MD systems for use with NAMD
This code adds custom-made amino acids to the GROMACS forcefield directory.
CodeEntropy is a python package and a collection of scripts that can be used to compute entropy using the multiscale-cell-correlation (MCC) theory from MD simulations.
Tutorial for converting NAMD psf/pdb files to CHARMM PSF/CRD (credit attributed where appropriate to the AMAZING humans who developed these scripts)
VMD plug-in for building a peptide ab initio from backbone torsion angles or secondary structure
Perform molecular dynamics experiments (MD) with NAMD on colab
PEPDROID force field for peptoids
xBFreE is a powerful and versatile tool for computing the Binding Free Energies using a variety of methods across popular Molecular Dynamics programs
Files used for the results presented in my physics undergraduate thesis.