Dear Amber users,
I am interested to calculate the dipole
moment of protein. I have used dipole command of ptraj.
dipole test_dipole 50 0.5 50 0.5 50 0.5 :1-24 0 0 0
In my
protein I have 24 residues and remaining are Cl- ions and waters.
But I want to calculate the dipole moment of all the atoms of the
protein.When I run I am getting the output like this...
field 8
size 1
nside 3
nlayer 1
directional
vector
data
I am not getting what it gives...
Please help me in getting the calculation of the dipole moment of all
the atoms of the protein...
with regards,
Venkat
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Received on Tue Aug 24 2010 - 06:00:07 PDT
