md-simulation

There are 5 repositories under md-simulation topic.

  • N720720/lindemann

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

    Language:Python180156

  • bbye98/mdhelper

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

    Language:Python8140

  • zhenyuwei99/lmp_str.jl

    molecule builder for LAMMPS in Julia

    Language:Julia2200

  • SergiR1996/PELEAnalysis-Processing

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

    Language:Python1002

  • SophiaBailingZhou/cpptraj-H-bond-analysis-difference

    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.

    0200