[gmx-users] OT: grace

[David van der Spoel]

On Thu, 2003-03-27 at 10:57, Christoph Freudenberger wrote:
> David van der Spoel wrote:
> > some possibilities:
> > - use running average to smooth
> That works great! Thanks...
> 
> Is it common practice to smooth rdf's that way for plotting?
> Do I have to mention that the function has been
> smoothed in the figure caption or the computations
> part?
Yes, don't smooth too much though...

It is often very hard to reproduce MD results, so it is important to be
careful in describing what you have done...

> 
> -- 
> Christoph Freudenberger
> Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
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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