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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 [1] at the Laboratory for Physical Chemistry [2] at the Swiss Federal Institute of Technology ().
Force-directed graph drawing algorithms assign forces among the set of edges and the set of nodes of a graph drawing.Typically, spring-like attractive forces based on Hooke's law are used to attract pairs of endpoints of the graph's edges towards each other, while simultaneously repulsive forces like those of electrically charged particles based on Coulomb's law are used to separate all pairs ...
The Vienna Ab initio Simulation Package, better known as VASP, is a package written primarily in Fortran for performing ab initio quantum mechanical calculations using either Vanderbilt pseudopotentials, or the projector augmented wave method, and a plane wave basis set. [2]
CHARMM also includes polarizable force fields using two approaches. One is based on the fluctuating charge (FQ) model, also termed Charge Equilibration (CHEQ). [13] [14] The other is based on the Drude shell or dispersion oscillator model. [15] [16] Parameters for all of these force fields may be downloaded from the Mackerell website for free. [17]
The Force Concept Inventory is a test measuring mastery of concepts commonly taught in a first semester of physics developed by Hestenes, Halloun, Wells, and Swackhamer (1985). It was the first such " concept inventory " and several others have been developed since for a variety of topics.
The reference implementations of the OPLS force field are the BOSS and MCPRO programs developed by Jorgensen. Other packages such as TINKER , GROMACS , PCMODEL , Abalone , LAMMPS , Desmond and NAMD also implement OPLS force fields.
The following other wikis use this file: Usage on af.wikipedia.org James Clerk Maxwell; Usage on ar.wikipedia.org تاريخ نظرية الكهرطيسية
Part of force field of ethane for the C-C stretching bond. In the context of chemistry, molecular physics, physical chemistry, and molecular modelling, a force field is a computational model that is used to describe the forces between atoms (or collections of atoms) within molecules or between molecules as well as in crystals.