GROMACS Wizard

OneAngstrom

Updated: Oct 09, 2025


Latest versions

4.3.8 for SAMSON 2025 R3

4.3.8 for SAMSON 2025 R3

4.3.8 for SAMSON 2025 R3

The reference price is the one in euros.
Non-euro prices are given for information purposes only.
Try
Free 30 days
Try
Monthly
149,00 € / mo
Subscribe
Yearly
1 490,00 € / year
Subscribe
Free forever for academic & nonprofit non-commercial use.
SAMSON and all SAMSON Extensions are free for non-commercial use.
This includes extensions for docking, simulating, animating, scripting, etc.

Most features run locally for free. Some optional calculations run in the cloud,
such as structure prediction and cloud simulations, and require computing credits.


30-day free commercial trial. No credit card required.
Subscribe anytime. Cancel anytime.

GROMACS Wizard

OneAngstrom

Updated: Oct 09, 2025


Latest versions

4.3.8 for SAMSON 2025 R3

4.3.8 for SAMSON 2025 R3

4.3.8 for SAMSON 2025 R3

Prepare, minimize, equilibrate, and simulate systems using GROMACS on your computer or in the cloud.

New: join the GROMACS Wizard community on the new Discord server at https://s-c.io/gwd.

This extension seamlessly integrates the popular GROMACS molecular dynamics simulation package into SAMSON.

Prepare simulations using the most popular force fields provided with GROMACS, or add custom force fields and topology files, for example to simulate protein-ligand systems or any parameterized molecules.

Perform NVT and NPT equilibrations, as well as production simulations, in just a few clicks.

Run calculations locally, or use computing credits to perform simulations in the cloud directly from SAMSON.

For more information about all features of the GROMACS Wizard, please refer to the GROMACS Wizard tutorial.

References

[1] GROMACS version 2021

[2] van der Spoel, et al. (2005) J. Comput. Chem. 26: 1701-1718.
GROMACS Wizard is an extension for SAMSON,
the integrative platform for molecular design.

To use GROMACS Wizard:

1. Create your free account and choose a molecular design plan
2. Download and install SAMSON on your computer
3. Subscribe to an Expert or Enterprise plan, or just this extension


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