CHARMM Card File Format
Developed in United States
Scope and data types
How to cite this record FAIRsharing.org: CRD; CHARMM Card File Format; DOI: https://doi.org/10.25504/FAIRsharing.7hp91k; Last edited: Feb. 22, 2018, 2:03 p.m.; Last accessed: Nov 13 2018 4:43 a.m.
Record updated: July 12, 2017, 10:47 a.m. by The FAIRsharing Team.
Edits to 'https://fairsharing.org/FAIRsharing.7hp91k' by 'The FAIRsharing Team' at 10:47, 12 Jul 2017 (approved): 'shortname' has been modified: Before: CHARMM Card File Format After: CRD
Edits to 'https://fairsharing.org/FAIRsharing.7hp91k' by 'The FAIRsharing Team' at 09:28, 18 Oct 2016 (approved): 'description' has been modified: Before: "CHARMM Card File Format" is a standard, specialising in the fields described under "scope and data types", below. Until this entry is claimed, more information on this project can be found at http://www.charmmtutorial.org/index.php/CHARMM:The_Basics#CHARMM_data_structures. This text was generated automatically. If you work on the project responsible for "CHARMM Card File Format" then please consider helping us by claiming this record and updating it appropriately. After: CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a computational package used for classical, quantum and hybrid quantum/classical simulations.
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Conditions of Use
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson, David J. States, S. Swaminathan, Martin Karplus
Journal of Computational Chemistry 1983
CHARMM: The Energy Function and Its Parameterization
Alexander D. MacKerell Jr., Bernard Brooks, Charles L. Brooks III, Lennart Nilsson, Benoit Roux, Youngdo Won, Martin Karplus,
Encyclopedia of Computational Chemistry 2002
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