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

Erik Lindahl lindahl at sbc.su.se
Thu Oct 13 16:05:18 CEST 2005


It's quite common that you want to apply a surface tension in the XY  
plane (e.g. to see what happens when you tear the membrane apart).  
The area compressibility when you allow changes in thickness is 1-2  
orders of magnitude higher than the volume compressibility.



On Oct 13, 2005, at 1:25 AM, ramon at juguete.quim.ucm.es wrote:

> 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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Erik Lindahl  <lindahl at sbc.su.se>
Assistant Professor, Stockholm Bioinformatics Center
Stockholm University, SE 106 91 Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214

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