Florian Haberl wrote:
Hi,
On Friday 13 October 2006 09:04, Dallas B. Warren wrote:
FYI, g_sdf is now available on the website for download.
It generates a spatial distribution function of atom(s) around a
reference molecule. It is a radial distribution function in three
dimensions, rather than one.
http://www.gromacs.org/contributed_by_users/task,doc_details/gid,72/
it would be nice to add an patch for makefiles.
this is now in CVS.
This script was written by Christoph Freudenberger a number of years ago
and has just been modified by Tsjerk Wassenaar (thank you for that :-) )
to work with 3.3.1.
Catch ya,
Dr. Dallas Warren
Lecturer
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
[EMAIL PROTECTED]
+61 3 9903 9524
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble
a nail.
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Greetings,
Florian
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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