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.
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
-- David J. Hardy office: 3047 BI Beckman Institute fax: (217) 244-6078 University of Illinois phone: (217) 244-5493 405 N. Mathews Ave email: dhardy_at_ks.uiuc.edu Urbana, IL 61801, USA web: http://www.ks.uiuc.edu/~dhardy/
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:53:08 CST