We describe the development, current features, and some directions for future development of the AMBER package of computer programs. This package has evolved from a program that was constructed to do Assisted Model Building and Energy Refinement to a group of programs embodying a number of the powerful tools of modern computational chemistry-molecular dynamics and free energy calculations.
Bibliographical noteFunding Information:
Peter Kollman is pleased to acknowledger esearch support from the the NIH (GM-29072 and CA-25644) and the NSF (CHE94-17458)T om Cheatham is a BiotechnologyT rainee. David Case acknowledgeNs IH support( GM-45811).
- Computer simulations
- Free energies
- Molecular dynamics
- Molecular mechanics
- Normal modes