Defintion HILLS_W

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ole_nickel
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Defintion HILLS_W

#1 Post by ole_nickel » Tue Mar 22, 2022 9:43 am

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

ferenc_karsai
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Re: Defintion HILLS_W

#2 Post by ferenc_karsai » Mon Mar 28, 2022 8:24 am

HILLS_W is the standard deviation used in the second equation (for V(t,\ksi)) on the following page:
wiki/index.php/Metadynamics

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