Hi,
I plan to strip down my trajectory files to protein backbone amide NH
atoms only. How do I prepare a prmtop for use in subsequent ptraj
analysis? [In other words how do I prepare a prmtop for only a subset of
protein atoms?]
Cheers,
Paul
--
Paul Driscoll
Group Leader
Division of Molecular Structure
MRC National Institute for Medical Research
Tel. +44 (0)20 8816 2061 / +44 (0)7876 777937
http://www.nimr.mrc.ac.uk/research/paul-driscoll
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Received on Mon Jun 03 2013 - 06:00:03 PDT