[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
USA
Phone:1-805-6859381
Mobile :1-805-637-7995
E-mail:chiradip75 at yahoo.co.uk
cchatterjee at chem.ucsb.edu
Home Page: www.chem.ucsb.edu/~cchatterjee/
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