Re: pairInteraction energies?

From: Peter Freddolino (
Date: Wed Oct 05 2005 - 22:19:30 CDT

the pairInteraction calculation should output energies as well as
forces, and these energies will be only the energies for the interaction
you specified.

Georgios Papadopoulos wrote:

> Dear fellows, is there somewhere more information about the
> pairInteraction calculations
> than in NAMD user's guide 6.10? Not how to perform the calculations
> but about the
> meaning of the forces displayed and how to integrate them in order to
> get the energies.
> Thanks
> Georgios

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