Re: zeroMomentum command

From: Felipe Merino (felmerino_at_uchile.cl)
Date: Fri Oct 16 2009 - 20:53:10 CDT

Oh sorry, i guess i wasn't even paying attention to what i was reading..

sorry, just ignore my previous comment...

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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