MOL2LAMMPS

MOL2LAMMPS is a custom open-source conversion tool to enable a user to generate working LAMMPS input files for various MD or other studies. The program was designed with the intention for studies of molecular crystals however can still be used for non-crystalline systems.

LAMMPS is a very versatile MD software however, creating LAMMPS input files on-the-fly is often difficult. There are a few commercial software GUI that have been designed to do this which work quite well. (i.e. loading a structure into GUI and hitting a few buttons). 

MOL2LAMMPS was built as a zero-cost alternative to such software. 

git repo: github.com/echanj/MOL2LAMMPS.git 

These software tools are:

Licensed under the Academic Free License version 3.0

The authors hold no responsibility whatsoever for any software or hardware related damages that can occur as a result of the use of these codes.

See https://opensource.org/licenses/AFL-3.0 for more details.

 If you use the tools please cite this article.... I used them a lot for my past research efforts .... enjoy...

Chan, E. (2015). "On the use of molecular dynamics simulation to calculate X-ray thermal diffuse scattering from molecular crystals." Journal of Applied Crystallography 48(5): 1420-1428.