Adaptive Lennard-Jones

Updated: July 03, 2024


Latest versions

2.0.0 for SAMSON 2022 R2

2.0.0 for SAMSON 2022 R2

2.0.0 for SAMSON 2022 R2

1554
466

Free extension

Free
No credit card required

Adaptive Lennard-Jones

Updated: July 03, 2024


Latest versions

2.0.0 for SAMSON 2022 R2

2.0.0 for SAMSON 2022 R2

2.0.0 for SAMSON 2022 R2

1554
466
Simulate with an adaptive version of the Lennard-Jones potential.

An interaction model to compute the forces with an adaptive version of Lennard-Jones potential. The update of forces is done by storing all the position, and at each position update, subtracting previous pair forces, then adding new ones. If both pair particles were frozen by restraining dynamical model, the update is useless and so not done.

References

This extension has been originally created by Francois Rousse as a part of his research work at NANO-D, Inria.

Adaptive Lennard-Jones is an extension for SAMSON,
the integrative platform for molecular design.

To use Adaptive Lennard-Jones:

1. Create your free account and choose a molecular design plan
2. Download and install SAMSON on your computer
3. Come back to this page to add the extension to your account


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