[AMBER] Volume calculation

From: Sanjib Paul <sanjib88paul.gmail.com>
Date: Fri, 29 Nov 2013 18:17:05 +0530

Dear Amber Users and Developers,
                                          How to calculate volume of a
specific portion of a system? I want to calculate volume occupied by a
amino acid side chain of my system. Voronoi tessellation is a useful method
to calculate the volume. I have got many things on net about voronoi
tessellation, but not any useful algorithm, using which I can get volume vs
time of my AMBER trajectory. So, can anyone please give me any hint or link
from which I can overcome my problem.

Thanking you.

Sanjib Paul
AMBER mailing list
Received on Fri Nov 29 2013 - 05:00:02 PST
Custom Search