Dear all,
I have explicit solvent simulations with 0.2 M NaCl and I am trying to
calculate the rdf of ions around the protein (or parts of the protein)
using the radial function. However, radial function treats the central
molecule as spherical and does the counts of ions and the conversion to rdf
according to spherical assumption. But this doesn't give me a correct
calculation since the protein is not spherical...
Is there an option I can get the ion count based on the distance from
protein surface (not based on the spherical volume gradient around the
center of mass)??
Thanks,
--
Elif Nihal Korkmaz
Research Assistant
University of Wisconsin - Biophysics
Member of Qiang Cui & Thomas Record Labs
1101 University Ave, Rm. 8359
Madison, WI 53706
Phone: 608-265-3644
Email: korkmaz.wisc.edu
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Received on Wed Jun 20 2012 - 14:00:03 PDT
