From: Norman Geist (
Date: Tue May 24 2016 - 03:02:26 CDT

Dear VMD Developers,


there's a bug in the Namdenergy feature of VMD causes periodic interactions
to not be fully considered. I think it is related to NAMD being started
without a box, so NAMD doesn't initially

create a valid pairlist. The failure can easily be seen when analyzing a
system containing two compounds, that do only meet across pbc boundary. One
obtains just zero interaction energies.


Best wishes


Norman Geist