From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Mon Apr 09 2012 - 04:43:37 CDT
2012/4/9 Ismail, Mohd F. <farid_at_ou.edu>:
> If one uses a non-galilean invariant thermostat, does the velocities of the particles change randomly?
It depends on the thermostat. There is no connection between the
thermostat being Galilean invariant and velocities of the particles
changing randomly (except for the fact that in the only such
thermostat available in NAMD, Lowe-Andersen, the velocities do change
randomly).
> How will it affect the diffusion coefficient?
The answer, of course, is also "it depends on the thermostat".
Here's my advice: do a Web search for "Lowe-Andersen". That should
bring up material that will help you answer your questions.
Jerome
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