[gmx-users] bounded water molecules

Raghunadha Reddy Burri burri at pc2a.chemie.uni-dortmund.de
Tue Feb 8 15:19:45 CET 2005

Dear GMX users,

How can I possible to calculate number of water molecules in first hydration 
shell OR number of bound water molecules and can I possible to separate my 
protein with bounded water molecules after simulation, please give me any 

Thank you very much for your time and consideration.


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