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GROMACS Wizard

Publisher: OneAngstrom

Updated: August 28, 2019


Latest versions

Windows: 0.8.4 on SAMSON 0.8.5

Linux: 0.8.4 on SAMSON 0.8.5

Mac: 0.8.4 on SAMSON 0.8.5

Free trial

Try 30 days
No credit card required

Monthly plans

Academic
14,90 € / mo
Commercial
37,90 € / mo

Yearly plans

Academic
149,00 € / year
Commercial
379,00 € / year

GROMACS Wizard

Publisher: OneAngstrom

Updated: August 28, 2019


Latest versions:

- Windows: 0.8.4 on SAMSON 0.8.5

- Linux: 0.8.4 on SAMSON 0.8.5

- Mac: 0.8.4 on SAMSON 0.8.5

Prepare, minimize, equilibrate, and simulate systems using GROMACS.

This SAMSON Element allows you to easily use GROMACS and integrate its most powerful functionalities into your modeling and simulation workflow.

This element uses GROMACS version 5.1.

Prepare models

Prepare simulations using the most popular force fields provided with GROMACS. You can even add custom force fields.

Prepare models

Add solvent...

Add solvent

... and ions in a few clicks:

Add ions

Minimize

Perform energy minimization easily...

Minimize

... load trajectories...

Load minimization trajectories

... and visualize plots all within SAMSON:

Show plots

Equilibrate and simulate

Launch NVT and NPT equilibrations, as well as production simulations, in a few clicks:

Show plots

Manage jobs

Use the included job manager to perform batch calculations:

Show plots

And more

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

Reference

GROMACS version 5.1

van der Spoel, et al. (2005) J. Comput. Chem. 26: 1701-1718.