AMBER Archive (2004)

Subject: Re: AMBER: Amber8 - Floating point

From: Carlos Simmerling (carlos_at_ilion.bio.sunysb.edu)
Date: Thu Aug 26 2004 - 09:00:52 CDT

are you asking about the information in the normal output file (energy
components, etc)?
if so, look at the format statements in printe.f

if you mean the coordinates or trajectory, check mdwrit.f and corpac.f,
respectively.

===================================================================
Carlos L. Simmerling, Ph.D.
Assistant Professor Phone: (631) 632-1336
Center for Structural Biology Fax: (631) 632-1555
Stony Brook University Web: http://comp.chem.sunysb.edu/carlos
Stony Brook, NY 11794-5115 E-mail: carlos.simmerling_at_stonybrook.edu
===================================================================

Nhat-hang Duong wrote:

>Hello,
>
>Could somebody show me how to increase the floating point (say, to double
>precision) in the output files?
>
>Thanks,
>--Hang
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