[gmx-developers] Index for dipole stuff

[David van der Spoel]

On Sat, 2 Mar 2002, Berk Hess wrote:

>I had already been thinking that it might be a good idea
>to add a -adv option to show advanced options, since
>currenlty mdrun has a huge amount of options.
>The last four non-file options could be hidden under this,
>but also the ED, gct and pull file options.
>And something like -devout deviatie.xvg, what does this
>underscribed option do anyway?

I think that XML files will make a difference here, many of the xvg file
data and index data could go into the XML file. Actually only the really
large data files, trajectory and energy files will be *not* in the XML
file. Since grompp will be thrown out, we will not need to preprocess
files, and then most option can go into the XML input file.


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://zorn.bmc.uu.se/~spoel
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