lindemann is a python package to calculate the Lindemann index of a lammps trajectory

A batteries-included toolkit of analysis modules and helper functions for molecular dynamics (MD) simulations.

molecule builder for LAMMPS in Julia

This repository contains Python scripts to analyze MD & PELE simulations, to preprocess & process the system (pdb files), and many more.

Calculates change of H bond frequency (stability), average angle and average distance from cpptraj hbond output files and creates a sortable, color coded excel table. The Alignkeys submodule was created by excelforum user shg.