[gmx-users] basic gromacs question
spoel at xray.bmc.uu.se
Tue Jun 17 18:39:00 CEST 2003
On Tue, 2003-06-17 at 18:30, Erik Lindahl wrote:
> If you mean 3- or 4-body potentials I don´t know of a single package
> that can do it. It is simply too costly to be computationally
> effective, and there would be way too many parameters to adjust...
We can do polarizability with shell models if you want to parametrize
them, as you may know
"polarizability is the poor man's many body potential"
Dr. David van der Spoel, Dept. of Cell and Molecular Biology
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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