kay.gottschalk at weizmann.ac.il
Mon Aug 4 15:01:01 CEST 2003
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...
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,
> 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
> spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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Dr. Kay-E. Gottschalk
Department of Biological Chemistry
Weizmann Institute of Science
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