[AMBER] Doubt regarding the metadynamics simulation

From: Ravi Tripathi <abhi.rt8687.gmail.com>
Date: Thu, 17 Oct 2013 20:29:31 +0530

Dear all,
I have a doubt related to the metadynamics simulation.The dynamics of
nuclei is on the potential energy surface. Since the idea behind
meta-dynamics is to add the Gaussian to surmount the free energy surface,
so the doubt is whether the Gaussians are being added to the PES surface
where nuclei moves or on the Free energy surface. Any answer related to
this will be highly appreciated.

AMBER mailing list
Received on Thu Oct 17 2013 - 08:00:03 PDT
Custom Search