TD_MARGINAL_WELLTEMPERED
This is part of the ves module
It is only available if you configure PLUMED with ./configure –enable-modules=ves . Furthermore, this feature is still being developed so take care when using it and report any problems on the mailing list.

One-dimensional marginal well-tempered target distribution (dynamic).

One-dimensional marginal well-tempered distribution [8] given by

\[ p(s_{k}) = \frac{e^{-(\beta/\gamma) F(s_{k})}} {\int ds_{k}\, e^{-(\beta/\gamma) F(s_{k})}} = \frac{[P_{0}(s_{k})]^{1/\gamma}} {\int ds_{k}\, [P_{0}(s_{k})]^{1/\gamma}} \]

where \(\gamma\) is a so-called bias factor and \(P_{0}(\mathbf{s})\) is the unbiased canonical distribution of the CVs. This target distribution thus correponds to a biased ensemble where, as compared to the unbiased one, the probability peaks have been broaden and the fluctations of the CVs are enhanced. The value of the bias factor \(\gamma\) determines by how much the fluctations are enhanced.

Compulsory keywords
BIASFACTOR The bias factor to be used for the well tempered distribution
MARGINAL_ARG The argument to be used for the marginal.
Examples