On 12/17/09 5:43 PM, huikuan chao wrote:
Hi all
I am a new in using Gromacs 4
I now using g_sas to calculate the solvent accessible surface. Yet,
the outcome informs me the Vdw radius is missing for P atom in
Vdwradii.dat.
Thus I check the file and want to add the value for P. However, though
I read through the Manual, I can not find the reference of the source
of the values in Vdwradii.dat.
Could some one tell me which paper these radius in Vdwradii.dat come from?
Thanks
Huikuan
Unfortunately there is no ref. But you can easily add your own favorite
values.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
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
sp...@xray.bmc.uu.se sp...@gromacs.org http://xray.bmc.uu.se/~spoel
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