View Code? Open in Web Editor
NEW
This project forked from lammpsinputs/lammpsinputs.github.io
Makefile 15.03%
Batchfile 16.42%
Python 6.86%
Jupyter Notebook 61.68%
lammpsinputs.github.io's Introduction
- Molecular dynamics inputs for LAMMPS and GROMACS
- Scripts for preparing and analyzing molecular dynamics simulations
- Data from my recent publications
My main open-source projects:
- LAMMPS tutorials ๐ LAMMPS step-by-step guides for absolute beginners
- NMRforMD ๐ Python script for the calculation of H-NMR relaxation time
- MDcourse ๐ Learn molecular simulations using Python (under construction)
- MAICoS ๐ molecular analysis of interfacial and confined systems
- The gallery of molecules ๐ high resolution molecules with scripts
- ATB2LAMMPS ๐ a LAMMPS molecule template generator
lammpsinputs.github.io's People
Contributors
Stargazers
Watchers