Module: fisst
| Description | Usage |
|---|---|
| An implementation of infinite switch simulated tempering in force (FISST) | |
| Authors: Glen Hocky |   |
Details
This FISST module contains methods for adaptively determining weight parameters to construct a bias function that represents the Infinite Switch limit of Simulated Tempering for a linear bias coefficient of a CV, as described in the paper cited below.
Currently, all features of the FISST module are included in a single FISST bias function.
Actions
The following actions are part of this module
| Name | Description | Tags |
|---|---|---|
| FISST | Compute and apply the optimal linear force on an observable to enhance sampling of conformational distributions over a range of applied forces. | BIAS |
References
More information about this module is available in the following articles: