FBIAS_A = [real (array)]
Description: Defines the size of step (
) for the Fermi-like step-shaped bias potential of the following form:
![{\displaystyle
\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 ]}, \;
}](/wiki/index.php?title=Special:MathShowImage&hash=6cfa8fca0ae3c8456024496b72bbd0b5&mode=mathml)
where the sum runs over all (
) coordinates the potential acts upon, which are defined in the ICONST file by setting the status
to 4.
The units of
are
.
The number of items defined via FBIAS_A must be equal to
, otherwise the calculation terminates with an error message.
Related tags and articles
FBIAS_R0,
FBIAS_D,
ICONST,
Biased molecular dynamics