From: Roman Petrenko (rpetrenko_at_gmail.com)
Date: Wed Aug 05 2009 - 11:59:21 CDT
if your pore is oriented along z direction there is an easy way to do it.
assuming pore is in the interval [-15, 15] of z-axis, for each frame
you can count number of waters in this slab:
set wsel [atomselect top "name OH and z>-15 and z<15"]
set nw $wsel num
On Wed, Aug 5, 2009 at 11:57 AM, Narender Singh Maan<nsmaan_at_gmail.com> wrote:
> Hello, I was wondering if someone could please let me know on what would be
> the best way to study channel water molecules, i.e. i want to know how to
> extract the total number of water molecules, present inside the channel
> protein, from each frame.
> Thank you
-- Roman Petrenko Physics Department University of Cincinnati
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:22:16 CST