Hi,
I am trying to measure the distances between two defined atoms belonging to an alanine (residue 60; atom CB) and a phenylalanine (residue 92; atom CZ), respectively, in a trajectory.
I have tried using the following mask in my cpptraj script:
distance :60 [.CB] :92 [.CZ] out result.agr
I am, however, not convinced that my mask definition is correct and understood by cpptraj. Can somebody advise me how to set up the masks so that I get the distances between atoms CB and CZ?
Best wishes,
Robert
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Received on Tue Mar 29 2016 - 04:00:05 PDT
