http://amber.ch.ic.ac.uk/archive/200604/0210.html
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\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
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> -----Original Message-----
> From: owner-amber.scripps.edu
> [mailto:owner-amber.scripps.edu] On Behalf Of german
> Sent: Monday, April 24, 2006 04:18
> To: amber.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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Received on Wed Apr 26 2006 - 06:07:07 PDT
