[gmx-users] double precision and NMA

[David]

On Mon, 2004-02-16 at 05:51, F JH wrote:
> Dear GMX users~
> 
> According to the GROMACS Home page
> 
> Installation->Configuration
> 
> The default alternative is to compile GROMACS in single precision, double 
> precision is selected by the --disable-float option.
> 
> But I found "use --enable-double" to enable double precision in the 
> forum.Which is correct?
run ./configure --help and you know

> 
> Is double precision better for NMA calculation?
Not necessarily, but it is necessary for good minimization.
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 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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