VMD-L Mailing List

From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Thu Apr 09 2015 - 17:39:49 CDT

Dear list,

Starting with version 1.9.1 the measure command of VMD can also calculate
the energy:

energy energy_term atom_list [parameters] [options]: Returns the specified
energy term for a given set of atoms. The energy term must be one of bond,
angle, dihed, imprp, vdw or elect where vdw stands for 'van der Waals' and
elect for electrostatic energy. The energy is computed based on the CHARMM
force field functions, the given parameters and the current coordinates.

However, I cannot find an example how to use it. Is "atom_list" just two
atoms or can it be multiple atoms? Based on the parameters, it looks like
it calculates the energy between two atoms.

Thanks,

      Gianluca

-----------------------------------------------------
Gianluca Interlandi, PhD gianluca_at_u.washington.edu
                     +1 (206) 685 4435
                     http://artemide.bioeng.washington.edu/

Research Assistant Professor at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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