[gmx-users] Dipolar correlation function
chiradip75 at yahoo.co.uk
Thu Dec 14 01:16:51 CET 2006
Hi gmx user,
Is there any way in gromacs to compute dipolar
correlation function between solvent atom and one atom
of my protein from trajectory data? I went through
g_rotacf with -d option. But I think it gives
rotational correlation function for linear molecules
by specifying two atoms (i,j) in the index file that
means two atoms i-j with a bond.
Is g_dipole -corr is an option?
please advice me.
Post Doctoral Research Associate
Department of Chemistry and Biochemistry
University of California, Santa Barabara
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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