AMBER Archive (2004)

Subject: Re: AMBER: Amber8 - Floating point

From: Nhat-hang Duong (nhduong_at_rci.rutgers.edu)
Date: Thu Aug 26 2004 - 11:51:28 CDT

This is great! Thanks, Drs. Crowley and Simmerling.

Cheers,
--Hang
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On Thu, 26 Aug 2004, Michael Crowley wrote:

> 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
> -----------------------------------------------------------------
> 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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