[gmx-developers] features of gromacs
friedel at ipfdd.de
Fri Mar 12 15:44:50 CET 2004
in my own interest i would like to ask somebody about implementation of a feature called grand canonical molecular dynamics into gromacs. for who is not so familar with that feature: that means md with constant chemical potentials meaning also fractional particle handling (lynch and pettitt in j.chem.phys. 107 (20), 8594-8610 (1997) and Kuznetsova, kvamme in physical chemistry chemical physics 2002 (6), 930-941).
are their any experiences in that way or are there any plans to implement this feature (or is it implemented yet)?
very thanks in advance for the help
Dr. Peter Friedel
Hohe Str. 6, 01069 Dresden
Institut für Polymerforschung Dresden e.V.
email: friedel at ipfdd.de
More information about the gromacs.org_gmx-developers