VMD-L Mailing List

From: Gurunath Katagi (gurunath.katagi_at_gmail.com)
Date: Fri Jul 04 2014 - 09:48:48 CDT

Dear All,
I am trying to calculate the number of tyrosine within certain distance
from the geometric centre of the molecule.

If the calculation was based on some atom, then it would have been
<selection> within <distance> of protein

Now I that i am not getting which atom to take reference from, can you
please let me know how to go about this..?
eg; <selection> within <distance> of <center of mass>

thank you
Gurunath