[gmx-users] g_rdf

[Kay Gottschalk]

Hmm, too bad. Any idea how to do the averaging then? If I want to  
calculate the rdf of solvent around a certain surface atom, I will have  
to compensate for volume of the protein, I think. I am not really sure  
how to do that...
Thanks,
Kay.
On Monday, August 4, 2003, at 01:30 PM, David wrote:

> On Mon, 2003-08-04 at 11:56, Kay Gottschalk wrote:
>> Hi all,
>>
>> does anyone know how to use g_rdf angle-dependent? In the manual it's
>> written that one can define some angle theta (which affects the
>> averaging), but somehow I can't figure out how to define that angle.
>> Thanks for your help,
>> Kay.
>>
> I think that option has been lost a long while ago...
>
>
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> --  
> Groeten, David.
> _______________________________________________________________________ 
> _
> Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
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>
Dr. Kay-E. Gottschalk
Department of Biological Chemistry
Weizmann Institute of Science
Tel: ++972-8-9343639
Herzl St. 1
Rehovot 76100
Israel