main_manual
57b7ebbef002lammm-master

main_manual
View Options

			The charmm2lmp sub-directory contains tools for converting files back-and-forth between
			the CHARMM MD code and LAMMPS.

			The charmm2lammps.pl perl script converts CHARMM input files into LAMMPS input.
			The lammps2pdb.pl perl script converts LAMMPS dump files into a pdb series file.
			The mkpdb.f fortran 90 code also converts LAMMPS dump files into PDB files, and the
			mkdcd.f tool converts LAMMPS dump files into CHARMM *.dcd trajectory files that can
			be read-in to CHARMM for analysis. See the README file in the charmm2lmp sub-directory
			for more information.

			These tools were written by Pieter J. in 't Veld (pjintve@sandia.gov) and Paul Crozier
			(pscrozi@sandia.gov) at Sandia.