applicability of TEMP_TOL to thermostat regions...

Axel akoh... at
Thu Mar 13 01:45:11 UTC 2008

hi everybody,

since we can apply thermostats to individual regions, i was just
wondering, if TEMP_TOL should be applied to each region individually
or only globally. i guess, it could make some sense to have this per
region if those are "large enough" (but what would be large enough?).

... or would using a CSVR type thermostat with a short time-constant
have a similar (if not better) effect (removal of excessive kinetic
in certain areas of my system at the beginning of equilibration).

comments? suggestions?


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