From: Ming-Tsung Lee (
Date: Fri Mar 21 2014 - 10:23:22 CDT

Version: VMD 1.9.1 on Windows 8.1 x64
Function: VMD extension for radial pair distribution function

I tried to use the extension g(r). I have a trajectory of a system which
packs simple one atom in the 20x20x20 (unit length) periodic box. As
instructed on the plug in webpage, I set the unit cell dimension using the
Utilities. I have checked the Use PBC in the options. My selection 1 and
selection 2 are both "name W", which is my name of atom uniformly
distributed in the system. I put max.r as 20.0.

The output RDF figure looks right. However, the profile is
truncated around r=14. To be more specific, I have a range of r around the
value g(r)=1, but g(r) becomes zero at 14.3 to 20.0. Shouldn't I have
all g(r)=1 to the boundary of periodic box r=20? Would you please
indicate wherever I did it wrong? Thank you.

Best Regards,

Ming-Tsung Lee
Department of Chemical & Biochemical Engineering
Rutgers, The State University of New Jersey
98 Brett Road, Piscataway, NJ 08854-8058