Hello,
So in cpptraj, pseudo-trajectories of covariance matrix eigenvectors can be
generated using the *modes* command, and the minimum and maximum values are
found by looking at the histogram of the corresponding components. This is
well-documented everywhere.
But can this be done in pytraj? I've tried looking for a pytraj counterpart
of the *modes* command, and all I found out is pytraj.analyze_modes, which
is not very well documented in the github pages. Maybe it can be done using
a series of different functions? I hope the pytraj developers can shed
light on this. It will be helpful to me and other people who do most of
their analysis in pytraj.
All the best,
Rashid
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 10 2018 - 09:30:03 PST
