[gmx-users] is it possible?

Albert mailmd2011 at gmail.com
Fri Nov 30 10:31:59 CET 2012


   I've got two polar residues which make H-bond directly. However, I 
found that this Hbond can be broken by solvent molecules: sometimes 
there is 1 water molecule stucked in the middle during the simulation 
and sometimes 2 even 3. But those water molecules can bridge this two 
residues through Hbonds. So I am just wondering is it possible in 
Gromacs to make statstics on the number of water molecule stuck within 
this  two residues?

thank you very much.

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