mol22lt

Perl script translating mol2 file to LAMMPS template file.

Functions

This Perl script translates sybyl-mol2 format file (*.mol2) to LAMMPS template format file (*.lt).

Usage

mol22lt.pl < molecule.mol2 > molecule.lt

Input *.mol2 file is assumed to be generated with antechamber with proper force field (e.g. GAFF) atom types and charges.

Resultant *.lt file can be input for moltemplate.

An example can be found in this tutorial (in Japanese).

Prerequisites

Perl interpleater.

Authors

Makoto Yoneya.