Dear Amber users,
I would like to get the electrostatic energy value in a point that is NOT
occupied by an atom. I've been using the LIE function in cpptraj for other
"real" atoms, but the only chance I see to continue using it in this case
is modifying the parm file inserting a "ghost atom" or changing some other
atom coordinates (and I really would like to avoid that).
Can you help me? Thanks in advance.
Elisa
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Received on Wed Dec 21 2016 - 07:00:02 PST
