FBIAS_D

FBIAS_D = [real (array)] 

Description: The flag 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