Energy Determination

From: mdcooper (
Date: Wed Sep 15 2004 - 17:48:11 CDT


I am using SMD to pull a ligand out of a protein and I would like to be able
to calculate the energy of both the protein and the ligand separately (as well
as the overall energy).

Does anyone know if this is possible in NAMD - I can't find anything this
complex in the user docs.



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