This project forked from makoto-yoneya/mol22lt
Perl script translating mol2 file to LAMMPS template file
Perl script translating mol2 file to LAMMPS template file.
This Perl script translates sybyl-mol2 format file (*.mol2) to LAMMPS template format file (*.lt).
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).
Perl interpleater.
Makoto Yoneya.
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