Force Field Builder

Efficient tool for optimizing custom torsion parameters in OPLS4

Force Field Builder


Force Field Builder is designed to provide force field parameters for torsions that are not explicitly represented in the force field. The set of molecules is analyzed to locate such torsions, and then quantum mechanical calculations are performed to obtain parameters for the torsions. New parameters are seamlessly integrated into the OPLS4 parameters directory for easy use in subsequent simulations.

Key Capabilities

End checkpoint
Build and optimize custom torsion parameters in OPLS4 force field for previously undefined bond dihedrals
End checkpoint
Visualize force field torsion energy profile compared to quantum mechanical (QM) profile
End checkpoint
Easily ensure that the best model is used in the calculation by seamless integration with FEP+

Related Products

Learn more about the related computational technologies available to progress your research projects.

MS Maestro

Complete modeling environment for your materials discovery


High-performance molecular dynamics (MD) engine providing high scalability, throughput, and scientific accuracy


High-performance free energy calculations for drug discovery

OPLS4 & OPLS5 Force Field

A modern, comprehensive force field for accurate molecular simulations


Efficient coarse-grained (CG) molecular dynamics (MD) simulations for large systems over long time scales

MS Penetrant Loading

Molecular dynamics (MD) modeling for predicting water loading and small molecule gas adsorption capacity of a condensed system

MS Transport

Efficient molecular dynamics (MD) simulation tool for predicting liquid viscosity and diffusions of atoms and molecules


Browse the list of peer-reviewed publications using Schrödinger technology in related application areas.

Materials Science
Physics-based molecular modeling of biosurfactants
Materials Science
Development of Scalable and Generalizable Machine Learned Force Field for Polymers
Materials Science
High-Throughput Molecular Dynamics Simulations and Validation of Thermophysical Properties of Polymers for Various Applications

Training & Resources

Online certification courses

Level up your skill set with hands-on, online molecular modeling courses. These self-paced courses cover a range of scientific topics and include access to Schrödinger software and support.


Learn how to deploy the technology and best practices of Schrödinger software for your project success. Find training resources, tutorials, quick start guides, videos, and more.