Ran Friedman wrote:
Dear list subscribers,
L. Nilsson reports that the recent version of CHARMM runs much faster
with tabulated non-bonding interactions. Do you think this should apply
to GMX as well?
Ran.
For simple LJ and Coulomb not. But for PME we use tables as well, to
make it faster, and also for shifted potentials.
--
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.
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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