Re: NAMD FFTW question?

From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Fri Aug 07 2009 - 12:47:30 CDT

The FFT is used only for calculating long-range electrostatics with
periodic boundary conditions. I assume your water sphere is nonperiodic
for which no FFT is needed, hence no "FFTW_NAMD*.txt" file.

-Dave

On Fri, Aug 07, 2009 at 11:17:58AM -0500, snoze pa 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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David J. Hardy           office: 3047 BI
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