VMD-L Mailing List

From: Maxim Paliy (mpaliy_at_wlu.ca)
Date: Fri Oct 24 2008 - 07:48:40 CDT

Dear VMD experts,
I have a question about the command "measure gofr selection1 selection2
.. etc"
that calculates g(r) for all the pairs between two selections..

I need to calculate g(r) e.g for all the pairs like <(index,
index+n)>, where n integer.

is there a way to accomplish this with "selection1 selection2" ?

Alternatively, is there a way to supply "measure gofr" with my own pair
list?

or better yet, is there a tcl analog of measure gofr to modify it easily
(at least without recompliing VMD)?

Thanks in advance for any hints,
Maxim