Dear All,
I could like to calculate the atomic fluctuation per residues for a
protein-DNA complex.
It seems to me that I could use the following command line in ptraj for this
purpose:
atomiclfluct out test_mdcrd.apf .C, CA, N byres bfactor
However, I cannot find the results for DNA residues, and the unit of the
atomic fluctuation is not known, as it is very large. What is the unit for
the y-axis? Can I convert them into A unit instead?
Did I do anything wrong here? Could you mind to instruct me how to improve
the command lines used?
Best regards,
Catherine
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Received on Wed Feb 14 2007 - 06:07:16 PST
