Hi Amber users!
I have a question regarding the radial command in PTRAJ.
When I calculate radial distribution functions, RDFs, for different atomic pair distributions I always obtain a larger unit cell volume in the end of the PTRAJ output then what I obtain from my trajectory output file. Why is that?
Has the periodic boundary conditions been removed when analysing the system using the radial command?
Cheers/Björn
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Received on Sun Sep 02 2007 - 06:07:16 PDT
