Hello,
I am not sure what the width of the Gaussian hills (HILLS_W) used for metadynamics means exactly.
Is it the 1 sigma (Standard deviation), 2 sigma or the FWHM (Full width at half maximum) of the Gaussian?
Thanks
Defintion HILLS_W
Moderators: Global Moderator, Moderator
-
- Global Moderator
- Posts: 460
- Joined: Mon Nov 04, 2019 12:44 pm
Re: Defintion HILLS_W
HILLS_W is the standard deviation used in the second equation (for V(t,\ksi)) on the following page:
wiki/index.php/Metadynamics
wiki/index.php/Metadynamics