[AMBER] Printing out matrix labels

From: Eugene Yedvabny <eyedvabny.berkeley.edu>
Date: Fri, 27 Jun 2014 18:09:12 -0700

Hello Amber community,

I am using the cpptraj command *matrix dist .H* *to generate a distance
matrix between all the hydrogen atoms in my protein (this is run after
stripping the solvent). Is it possible to print out the labels for the
matrix so I know which hydrogens correspond to which row/column? I assume
that the .H* mask just loops through all H atoms, so if printing the matrix
labels is not possible, is there a command that will print out just a list
of Residue-Atom for all matched hydrogens, akin to the labels used in hbond

Thank you,
Eugene Yedvabny
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Received on Fri Jun 27 2014 - 18:30:02 PDT
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