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Title: CHAMBER: Comprehensive support for CHARMM force fields within the AMBER software

Journal Article · · International Journal of Quantum Chemistry
DOI:https://doi.org/10.1002/qua.22372· OSTI ID:1252666
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Research Organization:
National Renewable Energy Laboratory (NREL), Golden, CO (United States)
Sponsoring Organization:
USDOE
DOE Contract Number:
AC36-08GO28308
OSTI ID:
1252666
Report Number(s):
NREL/JA-270-47231; MainId:49264; UUID:89dff3b7-e6d4-e411-b769-d89d67132a6d; MainAdminId:31356
Journal Information:
International Journal of Quantum Chemistry, Vol. 109, Issue 15; Related Information: International Journal of Quantum Chemistry; ISSN 0020-7608
Publisher:
Wiley
Country of Publication:
United States
Language:
English

References (10)

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules journal May 1995
All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins † journal April 1998
Development and current status of the CHARMM force field for nucleic acids journal January 2000
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations journal July 1983
Improved Treatment of the Protein Backbone in Empirical Force Fields journal January 2004
Extending the treatment of backbone energetics in protein force fields: Limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations journal August 2004
GROMACS: Fast, flexible, and free journal January 2005
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
Scalable molecular dynamics with NAMD journal January 2005
Carbohydrate solution simulations: Producing a force field with experimentally consistent primary alcohol rotational frequencies and populations journal October 2002

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Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
CHARMM
AMBER
converter
PSF
PRMTOP
SANDER
PMEMD