[gmx-developers] Re: The development of a new implementation

ramon at juguete.quim.ucm.es ramon at juguete.quim.ucm.es
Thu Oct 13 01:25:08 CEST 2005


Perhaps I am missing something, but for simulations of a membrane,
isn't it enough to use anisotropic compresibility? One can have
zero compresibility in the directions that one wishes to stay
fixed.

Anisotropic pressure is necessary for simulations solids under
stress. That is the system that is dealt with in the original paper
of Parrinello and Rahman.

Ramon



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