Universal force field

Updated: July 10, 2024


Latest versions

4.0.1 for SAMSON 2022 R2

4.0.1 for SAMSON 2022 R2

4.0.1 for SAMSON 2022 R2

Included with all plans

Universal force field

Updated: July 10, 2024


Latest versions

4.0.1 for SAMSON 2022 R2

4.0.1 for SAMSON 2022 R2

4.0.1 for SAMSON 2022 R2

Simulate molecular systems using the Universal Force Field (UFF) with automatic structure perception.

This extension contains a new implementation of the Universal Force Field, with automatic structure perception.

Usage

The Universal Force Field is used by default for interactive minimization in SAMSON.

You can also perform interactive simulation and control simulation parameters.

To use UFF in an interactive simulation, add a simulator to the document from the Home menu, and choose "Universal Force Field". The property window of the interaction model makes it possible to customize the perception and setup the interaction model (e.g. choose the cutoff), and displays the various energy types and the total energy.

For more information, check out the Universal Force Field tutorial.

Reference

For more details about the UFF implementation please see: S. Artemova, L. Jaillet and S. Redon. Automatic molecular structure perception for the universal force field. J. Comput. Chem. 2016, 37, 1191-1205.

Universal force field is an extension for SAMSON,
the integrative platform for molecular design.

To use Universal force field:

1. Create your free account and choose a molecular design plan
2. Download and install SAMSON on your computer


When you restart SAMSON, the extension will be automatically installed
and will be usable directly from within SAMSON.