Re: Grand canonical ensemble

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Mon Jan 28 2008 - 08:51:09 CST

Hi Michael,
NAMD doesn't currently support changing the number of particles in the
middle of the simulation, for various reasons. So currently, this can't
be done in an efficient way.
Peter

michael_at_perfect-kreim.de wrote:
> Hello,
>
> is it possible to simulate in an grand canonical ensemble in NAMD?
> I cannot find any information in the NAMD user guide.
>
> Thanks and best regards,
>
> Michael Kreim
>
>
>

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