hi everybody,
just wanted to announce that a new version of the
topotools plugin for VMD is available, with some
bug fixes and small enhancements, e.g. it writes
now the intended atom style as a comment into the
first line. this is also being tested against upon
reading a data file back into VMD.
the script package can be downloaded from:
http://sites.google.com/site/akohlmey/software/topotools
more importantly, i have started writing a step by
step tutorial for setting up data files for (molecular)
MD simulations with LAMMPS.
i'd like to encourage all of you to have a look,
look for errors or typos, provide feedback, and
make suggestions for what kind of cases should be
added as future parts. i have a few more ideas
myself, but would like to get some feedback before
spending more time on this.
thanks in advance,
axel.