VMD-L Mailing List

From: Nick Palmer (tuf90798_at_temple.edu)
Date: Thu Aug 16 2018 - 10:58:05 CDT

Hello everyone,

I have two simulations and I want to calculate van der waals energies
between the two. I have tried using the namdenergy command in tcl however
it doesn't let me calculate interactions between two different molecules.
Is there another way to do it? Or could I combine the two molecules all all
frames of the simulation in order to use namdenergy? Thank you in advance! 

-- 
Nicholas J. Palmer