lammps-data. Using single molecule data file build bulk system data file. Inspired by gromcas .itp file and .top. If you are good at using gromcs and you want to use the lammps software for a special function simulation.This code can conveniently obtain the configuration file of the bulk phase topology.

github.com/ruanyangry/lammps-data

Problem

Audience

Updates

No founder updates yet. Check back soon.