Hi every one
I use forcite tools to model collision between two molecules.And my procedures are
(1)Firstly, I do geometry optimization using Dreiding forcefield.
(2)Then I perform a dynamics using Dreiding forcefield at desired temperature with Berendsen.
(3)Finally I apply a velocity to one of the molecules,and the forcefield is Dreiding,too.
I have achieved the goal in forcite through the procedures mentioned above.And I also want to achieve the goal using PM3 method in VAMP.But, I find VAMP set up dialogs include geometry optimization option,but it does not include dynamics option,so I can not carry on rest of procedures.
My quetion are:
(1)Could it be possible to use PM3 method provided in VAMP instead of Dreiding forcefiled to model the potential energy of two molecules in forcite?
(2)Or can I perform collision task mentioned above in VAMP with PM3?
Thanks for reading this post.And look forward to your reply.
Thanks
Li