all,
there is an updated version of the LAMMPS molfile plugin for VMD
available. this version adds write support for triclinic cells
and make some other small adjustments. i would appreciate it, if
people would give me some feedback about whether it works for
them (even if they don't use triclinic cells).
please note, that VMD does not store the information of the
simulation cell origin, so i have to make an educated guess.
the previous version was just using the origin.
also, to be consistent with outputs created by lammps directly,
coordinates are now flagged as unwrapped coordinates (xu, yu, zu)
since this is what is written. the plugin previously would label
them (x, y, z), which would imply that they (mostly) contained
within the simulation box.
thanks,
axel.
source code is here:
http://sites.google.com/site/akohlmey/software/lammps-icms/vmd-lammpsplugin-20110124.tar.gz