Dear All
I have simulated a system, but for further calculations I need the electrostatics part of the force along three
components separately.In nutshell, although I would like to perform the molecular dynamics with the potential
which incorporates both electrostatics and Vander Waals forces but as an output I need only the electrostatic
part of the force to be printed.
How can I do that? The variable command is of any viable use? If yes than to subtract the vander waals forces
from total force what mathematical expression for Vander Waals forces should be taken.Thanks In Advance.