VMD-L Mailing List

From: Manish (manish.datt_at_hotmail.com)
Date: Tue Sep 06 2011 - 11:11:40 CDT

Hi All,

 

Is there a way to calculate water molecules inside a box of specified
dimensions using VMD. For instance, I've my protein centered on origin and
would like to calculate water molecules inside a box that is also centered
on origin. Basically, I'm trying to calculate water molecules inside the
protein and instead of calculating waters within certain distance cutoff
around the protein, I would like to count waters with a box (of different
sizes). Any help in this regard would be greatly appreciated.

 

Regards,

 

Manish