LAMMPS pre- and post-processing tools

This directory contains several stand-alone tools for creating LAMMPS input files and massaging LAMMPS output data. Instructions on how to use the tools are discussed in the Tools section of the LAMMPS documentation. The source files in this directory have additional comments that may be useful at the top of the code. The packages that reside in their own sub-directories have README files of their own that you want to look at.

You will need to compile each of these tools if you wish to use them. Building LAMMPS itself (in the src dir) does not build these tools.

These are the included tools:

binary2txt convert a LAMMPS dump file from binary to ASCII text replicate replicate a LAMMPS data file in one or more dimensions restart2data convert a binary restart file to an input data file data2xmovie convert a data file to a snapshot that xmovie can viz chain create a data file of bead-spring chains micelle2d create a data file of small lipid chains in solvent

xmovie a quick/simple viz package that displays 2d projections

			 of 3d LAMMPS snapshots

amber2lammps python scripts for using AMBER to setup LAMMPS input ch2lmp convert CHARMM files to LAMMPS input lmp2arc convert LAMMPS output to Accelrys Insight format

		         for analysis

lmp2cfg convert LAMMPS output to CFG files that can be

		         read by AtomEye visualizer

lmp2traj convert LAMMPS output to contour, density profiles msi2lmp use the Accelrys Insight (nee MSI/Biosym Discover)

		         code to setup LAMMPS input

The set of tools are single C, C++, or Fortran files. A Makefile for building them is included in this directory, but you will have to edit it for the compilers and paths on your system.

The other tools are in their own sub-directories, and each has its own README file on how to build and use it.