[gmx-developers] Index for dipole stuff

David van der Spoel spoel at xray.bmc.uu.se
Sat Mar 2 19:32:05 CET 2002

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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