MMTSB toolset (Multiscale Modeling Tools for Structural Biology) can be used for replica exchange calculations with sander. This package also facilitates other Amber tasks, such as dealing in a consistent way with an ensemble of conformations, massaging PDB files, and carrying out some common types of structural analysis.
- Windows / Linux / Mac OsX
:: MORE INFORMATION
M Feig, J Karanicolas and CL Brooks, III
MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology
Journal of Molecular Graphics and Modeling, 2004, 22 (5), 377-95.