GitHub topics: md-simulation
SergiR1996/PELEAnalysis-Processing
This repository contains Python scripts to analyze MD & PELE simulations, to preprocess & process the system (pdb files), and many more.
Language: Python - Size: 51.1 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 1 - Forks: 2
N720720/lindemann
lindemann is a python package to calculate the Lindemann index of a lammps trajectory
Language: Python - Size: 20.5 MB - Last synced at: 21 days ago - Pushed at: 11 months ago - Stars: 21 - Forks: 6
bbye98/mdhelper 📦
A batteries-included toolkit of analysis modules and helper functions for molecular dynamics (MD) simulations.
Language: Python - Size: 87.8 MB - Last synced at: 9 days ago - Pushed at: about 1 year ago - Stars: 8 - Forks: 0
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.
Size: 169 KB - Last synced at: 12 months ago - Pushed at: 12 months ago - Stars: 0 - Forks: 0
zhenyuwei99/lmp_str.jl 📦
molecule builder for LAMMPS in Julia
Language: Julia - Size: 2.08 MB - Last synced at: almost 2 years ago - Pushed at: over 4 years ago - Stars: 2 - Forks: 0
