VMD-L Mailing List

From: Tyler Westland (tylerofthewest_at_gmail.com)
Date: Fri Feb 24 2017 - 14:47:15 CST

I have a simulation that I must used topo readvarxyz to load into VMD. This
is due to some of my molecules are switching between boxes. I am attempting
to use gofr to calculate the radial distance of this molecule. When I use
gofr on a single frame everything looks as expected. When I use gofr on two
or more frames the data implies all the molecules have distance very close
to 0. My question is what does gofr do to combine data between multiple
frames, and if possible, why does this create what I am using.

Tyler Westland