[gmx-users] Water near protein

[Ashutosh Jogalekar]

Hi
I have a protein that I have simulated for 1 ns. I want to observe  
the variation in the number of water molecules within 2.0 A of the  
backbone of the protein, as a function of time. So I should be able  
to see this variation as a graph in xmgrace, with time on the X axis,  
and the number within 2.0 A on the Y axis. What command could I use  
for doing this? If not, is there any way that this can be done?
Thanks very much
Ashutosh Jogalekar

Modeling Laboratory
Chemistry Department
Emory University