FBIAS_D

FBIAS_D = [real (array)] 

Description: Sets the slope of the bias potential.

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FBIAS_D defines the parameter $D_{\mu }$, which controls the slope of the central part of the Fermi-like step-shaped bias potential of the following form:

${\tilde {V}}(\xi _{1},\dots ,\xi _{M_{4}})=\sum _{\mu =1}^{M_{4}}{\frac {A_{\mu }}{1+{\text{exp}}\left[-D_{\mu }({\frac {\xi (q)}{\xi _{0\mu }}}-1)\right]}},\;$

where the sum runs over all ($M_{4}$) coordinates the potential acts upon, which are defined in the ICONST-file by setting the status to 4. The parameters $D_{\mu }$ are dimensionless. The number of items defined via FBIAS_D must equal to $M_{4}$, otherwise the calculation terminates with an error message.

Related tags and articles

FBIAS_R0, FBIAS_A, ICONST, Biased molecular dynamics

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