Re: NAMD FFTW question?

From: Giacomo Fiorin (gfiorin_at_seas.upenn.edu)
Date: Fri Aug 07 2009 - 14:06:05 CDT

This is because FFTs are used only in association with Particle Mesh
Ewald (PME), which implies the presence of periodic boundary
conditions.

Giacomo

---- ----
 Giacomo Fiorin
   Center for Molecular Modeling at
     University of Pennsylvania
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On Fri, Aug 7, 2009 at 12:17 PM, snoze pa<snoze.pa_at_gmail.com> wrote:
> Dear NAMD users,
>
> Just a quick question about the NAMD FFTW calculation. Why NAMD is
> not creating FFTW_NAMD*.txt file when we use water in sphere while it
> creates a FFTW_NAMD file when we use water in box. Any comments?
>
> Thank you
>
> s
>
>

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