From: Hyonseok Hwang (danggi_at_northwestern.edu)
Date: Fri Jan 23 2004 - 19:59:53 CST
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!
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:38:22 CST