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
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