AMBER Archive (2004)Subject: Re: AMBER: Amber8 - Floating point
From: Michael Crowley (crowley_at_scripps.edu)
Date: Thu Aug 26 2004 - 10:56:06 CDT
Dear Nhat-hang,
You can use binary output if you want full precision, but then
you have binary files.
Otherwise you need to change the formats in mdwrit and corpac
like this one in mdwrit
9028 format(6f12.7)
change to something like 6d25.15
Hope that helps
Mike
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Physical mail: Dr. Michael F. Crowley
Department of Molecular Biology, TPC6
The Scripps Research Institute
10550 North Torrey Pines Road
La Jolla, California 92037
Electronic mail: crowley_at_scripps.edu
Telephone: 858/784-9290
Fax: 858/784-8688
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