[gmx-users] single precision ???

[David van der Spoel]

On Wed, 2002-11-27 at 12:07, G. Papadopoulos wrote:
> In the original paper in "Journal of Molecular Modeling" it is stated
> that "the GROMACS code uses precision". What are the expected or
> experienced consequences (beside faster performance)?
for specific things you may need double, examples are normal mode
analysis and shell molecular dynamics. 

For "plain old" MD, single is perfectly fine.

> 
> G. Papadopoulos
> 
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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