Hi every one
I use forcite tool to model collision between two molecules,and I assign a velocity to one of them,then it moves towards another one,finally they collides.The forcefield for this dynamic is universial and the ensemble is NVT and the thermostat is Berendsen.When the dynamic is complete,I notice the kinetic energy and potential energy as well as non-bond energy are exchanged at 0.1ps.Here is the plot.My question are:
(1)Where can I know the mechanism(such as equation) that controls the transfer process(help document provides little information about this)? I want to know as much as possible about this mechanism,because I want to make a little change.
(2)Can it be possible for me to control this process?
Any help will be appreciated.
Thanks
Li
