Greetings!
I am using cpptraj to perform lifetime analysis of the backbond hydrogen bonds in a polypeptide.
I am confused about some of the information produced in the output files.
I first execute the command:
hbond Backbone :1-22.C,O,N,H avgout BB.avg.dat series uuseries bbhond.gnu
and run.
Then I execute the commands:
lifetime Backbone[solutehb] out backbone.lifetime.dat
runanalysis.
There are 20,000 frames in my trajectory file.
Two files are generated.
The first file called backbone.lifetime.dat has 60 sets, i.e. 60 hydrogen bonds.
I am not sure what the items are in Nlifetime, MaxLT, AvgLT and TotFrames. I
The second file called crv.backbone.lifetime.dat
has 26 frames with 60 curves.
I have read the information in the Amber15 manual, but I am still not understanding exactly what the information means.
If you have any guidance or suggest a reference that I could read, I would appreciate it.
Thanks in advance!
Best, Kristin D. Krantzman
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Received on Mon Mar 14 2016 - 12:30:03 PDT
