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CHARMM

Chemistry at Harvard Macromolecular Mechanics (CHARMM) is the name of a widely used set of force fields for molecular dynamics, and the name for the molecular dynamics simulation and analysis computer software package associated with them. The CHARMM Development Project involves a worldwide network of developers working with Martin Karplus and his group…

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Available in
English
Developers
Martin Karplus, Accelrys
License
Proprietary
Operating system
Unix-like: Linux, macOS, AIX, iOS
Platform
x86, ARM, Nvidia GPU; Cray XT4, XT5
Preview release
c48a1 / 2022; 4 years ago (2022)

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Overview

Force fields

Molecular dynamics program

Software history

Volunteer computing

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Map overview Semantic statistics

CHARMM

Nodes32
Edges31
Triples80
Avg. degree1.94
Density0.0625
Components1

How this topic connects Entity context

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CHARMM

Top relations

related to Force fields · 14
CHARMM → CHARMM19, CHARMM22, CHARMM22/CMAP, CHARMM27, CHARMM36, CHARMM36IDPSFF, CHARMM36m, Furthermore, GBSW, In, Nevertheless, The CHARMM, The CHARMM22, TIP3P
related to External links · 13
CHARMM → Archived, BIOVIACHARMM, Brooks, Brooks Group, CHARMM Interface, CHARMMC, Graphics, HarvardRoux, HomeCHARMM-GUI, Official, Wayback MachineBernard, Wayback MachineCHARMM Tutorial, Wayback MachineMacKerell
related to history · 13
CHARMM → Arieh Warshel, Around, Bruce Gelin, CFF, Cornell UniversityAwareness, Harvard, Karplus, Martin Karplus's, Michael Levitt's, Scheraga's, Schneior Lifson's, Weizmann Institute, X-ray
related to Molecular dynamics program · 12
CHARMM → Brooks III's, Charles, CHARMM's, FEP, It, Michigan, More, QM/MM, The, The CHARMM, This, University
related to Volunteer computing · 9
CHARMM → BOINC, Delaware, Docking, Home, IBM, MD, The Clean Energy Project, University, World Community Grid
Available in · 1
CHARMM → English
Developers · 1
CHARMM → Martin Karplus, Accelrys
License · 1
CHARMM → Proprietary
Operating system · 1
CHARMM → Unix-like: Linux, macOS, AIX, iOS
Platform · 1
CHARMM → x86, ARM, Nvidia GPU; Cray XT4, XT5

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Important terminology

force molecular dynamics fields program field used harvard energy software also karplus charmm22 may molecules group working website one mechanics

Entity relationships Subject–Predicate–Object triples

SubjectPredicateObjectConfidenceSrc
CHARMMAvailable inEnglish1.00infobox
CHARMMDevelopersMartin Karplus, Accelrys1.00infobox
CHARMMLicenseProprietary1.00infobox
CHARMMOperating systemUnix-like: Linux, macOS, AIX, iOS1.00infobox
CHARMMPlatformx86, ARM, Nvidia GPU; Cray XT4, XT51.00infobox
CHARMMPreview releasec48a1 / 2022; 4 years ago (2022)1.00infobox
CHARMMRelease1983; 43 years ago (1983)1.00infobox
CHARMMStable releasec47b1 / 2022; 4 years ago (2022)1.00infobox
CHARMMTypeMolecular dynamics1.00infobox
CHARMMWebsitewww.academiccharmm.org1.00infobox
CHARMMWritten inFORTRAN 77-95, CUDA1.00infobox
CHARMM36minstance ofas well as later versions CHARMM27 and CHARMM36 and various modifications0.80text

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