From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Thu Jul 20 2006 - 08:45:29 CDT
the reports on the standard looking ENERGY lines should be the
interaction energies if you have pair interactions on, not the energies
of the full system.
Holly Freedman wrote:
> Dear NAMD helpers,
> I have run the NAMD pair interaction command, and now I'm confused,
> because it is giving me forces intead of energies. The manual had seemed
> to indicate that we could get pair interaction energies this way. Does
> anyone know if this is possible? I am trying to use the pair interaction
> option to obtain solute-solvent interaction energies with full periodicity
> from a trajectory. If anyone knows, please let me know.
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