On Sun, Jul 09, 2017, Guqin Shi wrote:
>
> Thanks for the suggestion...I am proficient in Python, like scripting, data
> processing, and ploting. However, I have no experience dealing with
> trajectories directly without using cpptraj...Do you mind share any
> tutorial or template so that I could have a starting point...? I literally
> have no idea where to start......
Go to
http://ambermd.org, click on "Tutorials", then on "pytraj tutorials".
Chapter 29 in the Amber 2017 Reference Manual (titled "pytraj") in the general
section titled "Analysis of Simulations", is also a key resource.
(Bill: you at least, should have been able to try this before asking if
pytraj exists....)
....dac
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Received on Mon Jul 10 2017 - 06:00:08 PDT
