Hi Carlos,
We use our own FFT routines (from pub fft) and so do not need to link to any
FFT libraries. Bob supports linking to things like FFTW with PMEMD but his
own custom FFT routines are normally just as good if not better.
All the best
Ross
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From: owner-amber-developers.scripps.edu
[mailto:owner-amber-developers.scripps.edu] On Behalf Of Carlos Simmerling
Sent: Friday, March 07, 2008 13:35
To: amber-developers.scripps.edu
Subject: amber-developers: ffts
I've been asked what kind of fft libraries we want to have access to,
and I'm not sure what we're using. can someone tell me what we do now?
sorry to be naive about this
carlos
--
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
CMM Bldg, Room G80
Stony Brook University E-mail: carlos.simmerling.gmail.com
Stony Brook, NY 11794-5115 Web: http://comp.chem.sunysb.edu
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Received on Sun Mar 09 2008 - 06:07:37 PDT
