Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Molecular dynamics coupling model, temperature/pressure

It has to be kept in mind that parameters taken from different force fields are not necessarily transferable to a new model. In addition, most of the force fields are used with specific algorithms for force calculations cut-off schemes, pressure and temperature coupling methods, methods to calculate the long range contributions from electrostatic and, in. some cases, van der Waals forces, and water models all can be considered part of the force field . Of special interest are a number of articles on ab initio studies of different types of lipids. " Although no molecular dynamics simulations have been published using a force field derived from these calculations, such a force field is currently being developed. ... [Pg.1643]


See other pages where Molecular dynamics coupling model, temperature/pressure is mentioned: [Pg.50]    [Pg.141]    [Pg.152]    [Pg.131]    [Pg.215]    [Pg.5]    [Pg.446]    [Pg.446]    [Pg.475]    [Pg.134]    [Pg.122]    [Pg.145]    [Pg.165]    [Pg.19]    [Pg.205]    [Pg.227]    [Pg.116]    [Pg.643]    [Pg.83]    [Pg.643]   


SEARCH



Coupled models

Coupling model, dynamic

Dynamic coupling

Dynamic pressurization

Dynamical coupling

Model dynamical molecular

Molecular dynamic models

Molecular dynamics coupling

Molecular dynamics modeling

Molecular dynamics modelling

Molecular dynamics temperature

Pressure coupling

Pressure modelling

Temperature model

Temperature modelling

Temperature, dynamics

© 2024 chempedia.info