"Calculate local pitch/bending/rotation/orientation inside helices");
registerModule(manager, &gmx_hydorder, "hydorder",
"Compute tetrahedrality parameters around a given atom");
- registerModule(manager, &gmx_kinetics, "kinetics",
- "Analyze kinetic constants from properties based on the Eyring model");
registerModule(manager, &gmx_lie, "lie",
"Estimate free energy from linear combinations");
registerModule(manager, &gmx_mdmat, "mdmat",
group.addModule("current");
group.addModule("dos");
group.addModule("dyecoupl");
- group.addModule("kinetics");
group.addModule("principal");
group.addModule("tcaf");
group.addModule("traj");