Please keep the discussion on the gmx-users list.
On 7/24/12 8:31 AM, mohammad agha wrote:
Dear Justin,
Thank you very much from your response, is there only RDF calculations to reach
cutoff value?
RDF is one possible method to find out how closely atoms or molecules are
interacting, but it may get a bit muddled if the molecules are rather complex or
sample many conformations.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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