Re: zeroMomentum command

From: Felipe Merino (felmerino_at_uchile.cl)
Date: Fri Oct 16 2009 - 20:49:24 CDT

Hi Seth:

If i'm not wrong, the langevin dynamics also contain some random forces
that could make your system drift even when you have removed the center
of mass motion in the beginning of the simulation.

best

felipe

A D escribió:
> Hi all,
> I am having difficulty understanding the zeroMomentum command entry in
> the NAMD user guide. It says that if set to "yes", this command will
> remove COM drift due to PME. Does anyone know how there can be a drift
> due to PME? And also, why does the User Guide suggest using
> "zeroMomentum yes" command only for simulations that conserve
> momentum? I used it for a Langevin simulation and the command was
> successful in removing COM drift of my system. Then how can we explain
> the success of the command with the fact that it has been used in a
> simulation where there is no momentum conservation? I would be very
> glad if you could share your ideas.
> Thanks,
> Seth
>
>

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