[gmx-users] number of solvent molecule

chiradip chatterjee chiradip75 at yahoo.co.uk
Mon Nov 27 22:14:04 CET 2006

Hi gmxusers,
I am a new user of gromacs. I completed a MD run of my
protein in a solvent box.
Now I want to calculate the number of solvent
molecules (molecules/cc) present arround a shell of
0.6nm from my protein (or sidechains).
Please help me.
Thanks in advance
Chiradip Chatterjee

Chiradip Chatterjee 
Post Doctoral Research Associate 
Department of Chemistry and Biochemistry 
University of California, Santa Barabara 
Mobile :1-805-637-7995
E-mail:chiradip75 at yahoo.co.uk 
       cchatterjee at chem.ucsb.edu 
Home Page: www.chem.ucsb.edu/~cchatterjee/ 
Group home page : www.chem.ucsb.edu/~gerig/

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