VMD-L Mailing List

From: Maxim Paliy (mpaliy_at_wlu.ca)
Date: Mon Aug 25 2008 - 05:07:37 CDT

Hi All
I've a couple of quick questions about "measure gofr" command

1) how exactly the unnormalised histogram (last output list) is
normalised to the second output list?
i.e. what is the density rho ?

2) In the manuals, the factor 4pi seems to be missing from the formula
for the third output list
(runnig coordination number n(r) = int( rho*g(r)*r^2*dr ).. Is this a
typo in the manuals?

thank you advance for clarifications,
Maxim