AMBER Archive (2001)

Subject: NFFT

From: Hungie Hungie (hungie01_at_hotmail.com)
Date: Tue Oct 30 2001 - 08:43:48 CST

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Dear Amber users,

I am running MD of DNA with 40 mers. The box size is
a = 48.9824358, b = 50.0956195, c = 98.4130370
and I set NFFT1 = 50, NFFT2 = 50, and NFFT3 = 100.
The NFFT2 is less than b. Is it wrong and is there any effect?
I know that NFFT should be product of power of 2, 3 and 5.
Therefore NFFT2 should be 60 which I think it is too large.

Could anyone tell me what NFFT2 should be set?

Thank you very much in advance.

Hungie

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