Hi all,
I am a beginner to pytraj (and cpptraj) and I am looking through
documentation but wanted to confirm some things about the unit of time in
analysis.
First, on some resources online I'm seeing that time units are (1/20.455)
ps, but the manual says that the time units are just in ps "unless
otherwise noted". When using frame.time from pytraj, are those units in ps?
Additionally, are the values cumulative if there are multiple simulations
performed (such as minimization, heating, production) or only within the
specific loaded trajectory? I assume it is cumulative of some sort since my
trajectory does not start at 0, but I'm not sure.
Any help is appreciated!
Thanks,
Shayna
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Received on Thu Jan 31 2019 - 12:00:03 PST
