[gmx-users] Parallelization of nose-hoover thermostat.
Mehmet Suezen
suzen at theochem.tu-muenchen.de
Wed Apr 24 22:17:10 CEST 2002
Dear Gromacs Team,
Scaling of gromacs is quite impressive up to now. But I observed
different
behaviour vith nose-hoover thermostat (at least not same behaviour as
microcanonical runs).
Obviously, I may mis-set some parameters. Which parameters may affect
performance in thermostat cases, significantly?
Many Thanks
Cheers,
mehmet
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