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. ... 

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