> 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
This command does not calculate dipole moments. As the manual says:
"dipole: construct a grid of solvent dipoles (note: this command is
obsolete and the user should consult the code)"
You should consult the "vector" command and note the comments from the
manual about this command.
--tec3
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Received on Wed Aug 25 2010 - 09:30:03 PDT
