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Defintion HILLS_W

Posted: Tue Mar 22, 2022 9:43 am
by ole_nickel
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

Re: Defintion HILLS_W

Posted: Mon Mar 28, 2022 8:24 am
by ferenc_karsai
HILLS_W is the standard deviation used in the second equation (for V(t,\ksi)) on the following page:
wiki/index.php/Metadynamics