relating to NAMD Energy Plugin scripting

From: bo liu (
Date: Sun Jul 06 2008 - 23:19:44 CDT

Dear all

i want to calculate interaction energies between two regions of atoms from
the DCD file,
the question is that how to update the atom selection each frame, and how to
call NAMD Ebergy Plugin for calculating the energies?

it wouldn't be better if any seasoned users could send me a sample to
illustrate how to do this. anyway, i appreciate any help!


-Liu bo
Computational Biochemistry&Biophysics, Nano-bio systems: MD method;
College of Chemistry and Chemical Engineering, Graduate University of
Chinese Academy of Sciences, Beijing P.R. China
Office: (86)-010-88233187
Home: (86)-010-88259765
Cell: 13426057875

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:49:38 CST