[lammps-users] LAMMPS and VMD


Please note that the regular distribution of LAMMPS includes a script that
converts a LAMMPS data file and subsequent trajectory (or dump) files to
.psf and .pdb files, which are native to VMD. These tools can be found in
the LAMMPS subdirectory


Some examples are included. Future versions will include a 'CRYST1' line in
the .pdb file to bound the simulation cell. I will also include a pbcbox
tool to be used with VMD to draw the periodic boundary box. Current
versions of the lammps2pdb.pl script do not support triclinic shapes, even
though we recently added triclinic capabilities to LAMMPS. We will work it
in eventually.