View Code? Open in Web Editor
NEW
Convert files from the ATB repository to LAMMPS format
License: GNU General Public License v3.0
Python 89.09%
Jupyter Notebook 10.91%
atb2lammps'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
atb2lammps's People
Contributors
Watchers