need pair interaction energies, not forces

From: Holly Freedman (
Date: Wed Jul 19 2006 - 22:20:06 CDT

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.


This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:43:51 CST