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