About

AMBER-Hub is managed by the research group of Prof. Thomas E. Cheatham III at the University of Utah, which is one of the AMBER core developers and original founders of AMBER suite of biomolecular simulation programs.

The site’s main intent is to contribute and facilitate the use of CPPTRAJ, the principal analysis program for the AMBER molecular simulation package.  We present an on-line version of the official CPPTRAJ manual located in ambermd.org and complement with examples, tips, recipes and tutorials to help the user of CPPTRAJ learn the capabilities of the program.  Administration of the content and updates for this site is coordinated by Dr. Rodrigo Galindo-Murillo (IONIS Pharmaceuticals) and performed by students and collaborators.

Multiple people have introduced ideas for tutorials or have written tutorials that needed updating. We give full credit to them for their incredible help. These collaborators include:

  • Dr. Christina Bergonzo
  • Dr. Dan. R. Roe
  • Dr. Antistio Anibal Alviz Amador
  • Dr. Olivia Love
  • Dr. Lauren Winkler