2015-06-01 10:40 GMT-06:00 Tonalli Rodríguez <[email protected]>: > Hi Christoph, > > > Further to my previous question, is it possible to write the parameters to a > file? Yes, "simplex.state.cur" inside the step dir has all the parameters. Look for the line marked with "Active", which is the current simulation. You could overwrite/modify run_simluation.sh to have LAMMPS something with these.
Christoph > LAMMPS supports using tabulated potentials as the short-range part of the > long-range solvers. But, this only works for charge particles, not for point > dipoles. > I'm interested in using point dipoles, as well as other non-spherical > systems. I really appreciate any advice. > > Tonalli > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at http://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
