AWSEM-MD Documentation

Getting Started With AWSEM-MD - This page contains information on how to compile LAMMPS with AWSEM-MD, generate a project and run it.

Adding Secondary Structure Bias - This page contains instruction for addition of secondary structure bias to AWSEM.

Generating Fragment Library - This page contains instructions for generating fragment library.

Monomer Structure Prediction - This page contains an example of prediction of monomer structure.

Dimer Interface Prediction - This page contains an example of prediction of dimer interface.

AMH-Go Simulations and Umbrella Sampling - This page contains examples of AMH-Go type simulations and umbrella sampling.

Some examples of using AWSEM-MD code can be found in Examples directory on GitHub repository.