[gmx-users] spatial distribution function

[David van der Spoel]

On Mon, 2003-03-10 at 12:03, Christoph Freudenberger wrote:
> Hi there,
> 
> I would like to analyse SDF's from gromacs trjectories.
> AFAIK there is no SDF-tool provided in offical gromacs (yet)...
> 
> Has anybody already done that and could give some tips/code?
> 
> I figured the easiest way to write a tool would be to alter/extend
> the code for r_rdf.
> I this allowed? I mean would I violate the GPL by doing it?
> (reading tons of manuals is ok for me, but i hate this legal
> stuff ;-)
> Ok, I suppose this is no problem from the legal pov:
> Would you prefer another option (like -sdf 3d.dat) for the
> g_rdf tool or should I better write a standalone version
> (like g_sdf)?
The GPL mainly states that when you distribute your code, it must be
under the GPL too...

Once upon a time we had a variant of g_rdf that did angular
distributions. I would suggest you copy g_rdf.c to a new file and modify
that. 


-- 
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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