AMBER Archive (2004)

Subject: Re: AMBER: DNA

From: David A. Case (case_at_scripps.edu)
Date: Mon Feb 02 2004 - 10:58:26 CST

On Mon, Feb 02, 2004, Beale, John wrote:

> At the bottom of the md.in file for the production run of the polyA-polyT
> molecule in the DNA tutorial there is a set of numbers. I wonder if someone
> could tell me what they mean:
>
> 58.3501205 39.8315298 39.8315298 90.0000000 90.0000000 90.0000000
> 60 40 40 4 0 0 0
> 0.00001
>

This is ancient stuff related to version 6 (or earlier!) of amber. The
numbers of the fft dimensions, an error tolerance, etc. But you should just
ignore this part: these values are nowadays set by default, and the cards
above are ignored.

..dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
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10550 N. Torrey Pines Rd.         |  home page:                   
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