Hi,
Is there a reason that hydrogen atoms are not included in the calculation
of surface area using the "surf" command in cpptraj? I would like to
calculate the exposed surface area of the peptide hydrogen, which should
correlate with hydrogen/deuterium exchange rates of that hydrogen. But
since hydrogens are not included, the best I can do is measure the exposed
surface area of the peptide nitrogen, but I'm not convinced that will give
me the answers I'm looking for. Any insights would be appreciated.
Sid
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Received on Wed May 09 2012 - 18:00:03 PDT
