AMBER Archive (2006)

Subject: RE: AMBER: a quetion

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Mon Apr 24 2006 - 09:52:59 CDT

http://amber.ch.ic.ac.uk/archive/200604/0210.html

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|\oss Walker

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> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of german
> Sent: Monday, April 24, 2006 04:18
> To: amber_at_scripps.edu
> Subject: AMBER: a quetion
>
> Dear amber users,
>
> I had a problem with my e-mail and so I am repeating the
> following questtion,
>
> I'd like to know if anyone knows, how the PME works..I have a
> technical
> question regarding PME...
> Is the value of CUT the cut off value only for VdW forces in
> the direct
> (r) space? and are only the electrostatic forces (EF)
> treating in the k
> space? or are VdW and EF cutoff in the r space and some
> contribution of
> the EF is considered in the k space?
>
> Thanks in advance...
>
> German...
>
>
> --
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