Abstract
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.
Original language | English (US) |
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Pages (from-to) | 1-41 |
Number of pages | 41 |
Journal | Computer Physics Communications |
Volume | 91 |
Issue number | 1-3 |
DOIs | |
State | Published - Sep 2 1995 |
Bibliographical note
Funding 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).
Keywords
- Computer simulations
- Free energies
- Molecular dynamics
- Molecular mechanics
- Normal modes