GROMOS (original) (raw)
GROningen MOlecular Simulation (GROMOS) is the name of a force field for molecular dynamics simulation, and a related computer software package. Both are developed at the University of Groningen, and at the Computer-Aided Chemistry Group at the Laboratory for Physical Chemistry at the Swiss Federal Institute of Technology (ETH Zurich). At Groningen, Herman Berendsen was involved in its development. The united atom force field was optimized with respect to the condensed phase properties of alkanes.
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| dbo:abstract | GROMOS bezeichnet zum einen ein Kraftfeld, wie es zur Berechnung molekulardynamischer Simulationen benötigt wird. Es wurde an der Universität Groningen und der ETH Zürich entwickelt. Zum anderen ist GROMOS der Name für ein Softwarepaket für molekulardynamische Simulationen, das mit diesen Kraftfeldparametern verbunden ist. Die aktuelle Version trägt die Bezeichnung GROMOS11. Das GROMOS-Kraftfeld, oder besser die Kraftfelder, da es verschiedene Versionen gibt, die sich in ihren Parametern unterscheiden, ist für die Simulation von Aminosäuren und Alkanen optimiert, ist aber auch für Proteine oder Zucker einsetzbar. Es handelt sich um ein united atom Kraftfeld, bei dem einige funktionelle Gruppen, das heißt solche mit unpolaren Wasserstoffatomen zu einer Einheit verschmolzen wurden und in der Simulation als ein Atom angesehen werden. (de) GROningen MOlecular Simulation (GROMOS) is the name of a force field for molecular dynamics simulation, and a related computer software package. Both are developed at the University of Groningen, and at the Computer-Aided Chemistry Group at the Laboratory for Physical Chemistry at the Swiss Federal Institute of Technology (ETH Zurich). At Groningen, Herman Berendsen was involved in its development. The united atom force field was optimized with respect to the condensed phase properties of alkanes. (en) GROMOS（GROningen MOlecular Simulation）は、分子動力学シミュレーションのための力場と関連するコンピューターソフトウェアパッケージの名称である。どちらもフローニンゲン大学と、チューリッヒ工科大学・物理化学研究室コンピューター支援化学グループで開発されている。フローニンゲン大学では、が開発に参加した。 融合原子（united atom）力場は、アルカンの凝集相の諸性質に関して最適化された。 (ja) GROMOS é um campo de força para simulação de dinâmica molecular desenvolvido na Universidade de Groningen e no Computer-Aided Chemistry Group no Laboratório de Físico-Química em ETH Zurich. O campo de força átomo unido foi optimizado no que diz respeito às propriedades de fase condensada de alcanos. O GROMOS é também o nome para o pacote de simulação de dinâmica molecular associado a este campo de força. (pt) |
| dbo:computingPlatform | dbr:X86 |
| dbo:genre | dbr:Molecular_dynamics |
| dbo:latestReleaseVersion | GROMOS 11 v1.5.0 |
| dbo:license | dbr:Proprietary_software |
| dbo:operatingSystem | dbr:Unix-like |
| dbo:programmingLanguage | dbr:C++ dbr:Fortran |
| dbo:wikiPageID | 314647 (xsd:integer) |
| dbo:wikiPageLength | 8254 (xsd:nonNegativeInteger) |
| dbo:wikiPageRevisionID | 1052208744 (xsd:integer) |
| dbo:wikiPageWikiLink | dbr:Carbon dbr:Membrane dbr:Molecule dbr:Nucleotide dbr:Hydrocarbon dbr:Hydrogen dbr:DNA dbr:University_of_Groningen dbr:Unix-like dbr:Van_der_Waals_force dbr:Proprietary_software dbr:Comparison_of_force_field_implementations dbr:GROMACS dbr:Sugar dbr:Comparison_of_software_for_molecular_mechanics_modeling dbr:Micelle dbr:C++ dbr:Lipid dbr:Alkane dbr:Amino_acid dbr:ETH_Zurich dbr:Force_field_(chemistry) dbr:Fortran dbr:Molecular_dynamics dbr:Protein dbr:Hydrophobe dbr:Ascalaph_Designer dbc:C++_software dbc:Force_fields dbc:Fortran_software dbc:Molecular_dynamics_software dbr:Herman_Berendsen dbr:Polymer dbr:X86 dbr:Simulation dbr:Software |
| dbp:developer | Wilfred van Gunsteren. Philippe Hünenberger, Sereina Riniker, Chris Oostenbrink (en) |
| dbp:genre | dbr:Molecular_dynamics |
| dbp:language | English (en) |
| dbp:latestReleaseVersion | GROMOS 11 v1.5.0 (en) |
| dbp:license | dbr:Proprietary_software |
| dbp:name | GROMOS (en) |
| dbp:operatingSystem | dbr:Unix-like |
| dbp:platform | dbr:X86 |
| dbp:programmingLanguage | C++ => 2011 (en) Fortran <= 1996, (en) |
| dbp:wikiPageUsesTemplate | dbt:Infobox_software dbt:Official_website dbt:Reflist dbt:Start_date_and_age dbt:Technical dbt:URL dbt:Chemistry_software |
| dct:subject | dbc:C++_software dbc:Force_fields dbc:Fortran_software dbc:Molecular_dynamics_software |
| gold:hypernym | dbr:Field |
| rdf:type | owl:Thing dbo:Software schema:CreativeWork dbo:Work wikidata:Q386724 wikidata:Q7397 yago:Field111456760 yago:NaturalPhenomenon111408559 yago:Phenomenon100034213 yago:PhysicalEntity100001930 yago:PhysicalPhenomenon111419404 yago:Process100029677 yago:WikicatForceFields |
| rdfs:comment | GROningen MOlecular Simulation (GROMOS) is the name of a force field for molecular dynamics simulation, and a related computer software package. Both are developed at the University of Groningen, and at the Computer-Aided Chemistry Group at the Laboratory for Physical Chemistry at the Swiss Federal Institute of Technology (ETH Zurich). At Groningen, Herman Berendsen was involved in its development. The united atom force field was optimized with respect to the condensed phase properties of alkanes. (en) GROMOS（GROningen MOlecular Simulation）は、分子動力学シミュレーションのための力場と関連するコンピューターソフトウェアパッケージの名称である。どちらもフローニンゲン大学と、チューリッヒ工科大学・物理化学研究室コンピューター支援化学グループで開発されている。フローニンゲン大学では、が開発に参加した。 融合原子（united atom）力場は、アルカンの凝集相の諸性質に関して最適化された。 (ja) GROMOS é um campo de força para simulação de dinâmica molecular desenvolvido na Universidade de Groningen e no Computer-Aided Chemistry Group no Laboratório de Físico-Química em ETH Zurich. O campo de força átomo unido foi optimizado no que diz respeito às propriedades de fase condensada de alcanos. O GROMOS é também o nome para o pacote de simulação de dinâmica molecular associado a este campo de força. (pt) GROMOS bezeichnet zum einen ein Kraftfeld, wie es zur Berechnung molekulardynamischer Simulationen benötigt wird. Es wurde an der Universität Groningen und der ETH Zürich entwickelt. Zum anderen ist GROMOS der Name für ein Softwarepaket für molekulardynamische Simulationen, das mit diesen Kraftfeldparametern verbunden ist. Die aktuelle Version trägt die Bezeichnung GROMOS11. (de) |
| rdfs:label | GROMOS (de) GROMOS (en) GROMOS (ja) GROMOS (pt) |
| owl:sameAs | freebase:GROMOS wikidata:GROMOS dbpedia-de:GROMOS dbpedia-ja:GROMOS dbpedia-pt:GROMOS https://global.dbpedia.org/id/VGuJ |
| prov:wasDerivedFrom | wikipedia-en:GROMOS?oldid=1052208744&ns=0 |
| foaf:homepage | http://www.gromos.net |
| foaf:isPrimaryTopicOf | wikipedia-en:GROMOS |
| foaf:name | GROMOS (en) |
| is dbo:wikiPageWikiLink of | dbr:Q_(software) dbr:Index_of_physics_articles_(G) dbr:GROMACS dbr:Molecular_mechanics dbr:MARTINI dbr:Comparison_of_software_for_molecular_mechanics_modeling dbr:Phospholipid dbr:Local_elevation dbr:Force_field_(chemistry) dbr:Herman_Berendsen |
| is foaf:primaryTopic of | wikipedia-en:GROMOS |