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Universal force field

Publisher: OneAngstrom

Updated: August 28, 2019


Latest versions

Windows: 0.8.2 on SAMSON 0.8.5

Linux: 0.8.2 on SAMSON 0.8.5

Mac: 0.8.2 on SAMSON 0.8.5

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Universal force field

Publisher: OneAngstrom

Updated: August 28, 2019


Latest versions:

- Windows: 0.8.2 on SAMSON 0.8.5

- Linux: 0.8.2 on SAMSON 0.8.5

- Mac: 0.8.2 on SAMSON 0.8.5

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

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

Usage

In order to use this interaction model, add a simulator to the document from the Simulation 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.

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.

What's new

  • Correct some errors related to possibility of using existing bonds
  • Improve the interface

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