From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Mon Jan 26 2004 - 17:52:55 CST
lets you extract interaction energies between groups of atoms, but there's
no way to get the potential of each individual atom.
On Fri, 23 Jan 2004, Hyonseok Hwang wrote:
> Dear all,
> I would like to get potential energy between individual atoms. For
> example, When there are many atoms in simulation box, I would like to
> obtain the potential energies that each atom has. Is there any command
> or options in NAMD or is there any program to extract the potential
> energies from the DCD file or in any other ways?
> Thanks a lot!
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