Re: [AMBER] ERROR: Regenerate prmtop file with bondi radii

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 6 Dec 2012 18:00:39 -0500

As a side-note, you can also use the "printDetails" command in ParmEd to
query what atoms are specified by a given mask.

So:

printDetails .521

will print out the atomic properties of atom # 521.

Good luck,
Jason 

--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Dec 06 2012 - 15:30:02 PST
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