Hi,
I am trying to analyze a protein trajectory, and want to calculate the
following: (a) residue-wise side-chain RMSDs of all or a subset of
residues (b) RMSD of residues within say a 4 A sphere of a particular
side-chain. I did not find in the manual a description of the Amber API to
help write these masks (for the backbone there is ".N, C, CA", but how do
I select a specific set of reisues?). Any pointers?
Thanks in advance,
Sagar
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Received on Fri Apr 22 2005 - 16:53:01 PDT
