[gmx-users] Adding polarizability

David Mobley dmobley at gmail.com
Wed Nov 21 22:57:20 CET 2007


> Interesting, does that include all the multipoles and buffered 7-14
> potentials etc?

Yes. My understanding is that the implementation is somehow separate
from the main AMBER implementation and actually requires a copy of
Tinker to set up the input files, but this may have changed (I haven't
used it). You'll probably have to see the AMBER manual for details.


> --
> David van der Spoel, Ph.D.
> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205. Fax: +4618511755.
> spoel at xray.bmc.uu.se    spoel at gromacs.org   http://folding.bmc.uu.se
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