[gmx-users] Water near protein

Ashutosh Jogalekar ajogale at emory.edu
Tue May 9 23:48:43 CEST 2006

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

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