I'm working my way through Amber Tutorial P0 dealing with pytraj-jupyter
notebook (with Amber16-AmberTools17 under Ubuntu 16.04).
The tutorial steps generally work; that is my "amber.jupyter ntebook"
modules seem to be correctly installed and working.
But when I get to the command "phipsi = pt.multidihedral(traj, range
='1-12', dhtyypes="phi psi", dtype='dataframe')', I'm issued the error
message " TypeError: multihedral() got an unexpected keyword argument
'dhtypes'."
Checking the pytraj on-line documentation (at
http://amber-md.githup.io/pytraj/relwasw/1.0.6), it describes the
attribute "dhtypes", and gives a specific example "dhtypes=('phi psi')
", albeit with single quotes around phi psi, unlike the tutorial, which
uses double-quotes. Needless to say, I also tried single quotes, but to
no avail.
Can someone please set me straight?
Bob Wohlhueter
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Received on Thu Jul 06 2017 - 08:30:02 PDT
