Re: [gmx-users] How to prevent box shrinking incessantly at x and y when doing membrane simulation using semiisotropic couple type?

Dear Chris Thanks again for your reply. On Sat, Jun 2, 2012 at 10:52 PM, Christopher Neale chris.ne...@mail.utoronto.ca wrote: I suspect that you can find an equation to relate the surface tension to the ratio of the pressure along z to the pressure along xy that is required to maintain

Re: [gmx-users] How to prevent box shrinking incessantly at x and y when doing membrane simulation using semiisotropic couple type?

Sorry for my carelessness. Before nose-hoover, Parrinello-Rahman, I have done v-rescale, berendsen already. tau_t = 0.1, tau_p = 0.5. Hugh. On Sat, Jun 2, 2012 at 12:43 PM, Mark Abraham mark.abra...@anu.edu.auwrote: On 2/06/2012 1:11 PM, Klniu wrote: Dear Gromacs users, I am doing a

[gmx-users] How to prevent box shrinking incessantly at x and y when doing membrane simulation using semiisotropic couple type?

I suspect that you can find an equation to relate the surface tension to the ratio of the pressure along z to the pressure along xy that is required to maintain the unit cell of a semi-isotropic simulation approximately constant when you use the same compressibility in all dimensions. You

Re: [gmx-users] How to prevent box shrinking incessantly at x and y when doing membrane simulation using semiisotropic couple type?

On 2/06/2012 1:11 PM, Klniu wrote: Dear Gromacs users, I am doing a membrane simulation. The system are two layers composed by surfactants. other molecule are decane and water. The system like this: decane --- surfactant --- water