Re: [gmx-users] semi isotropic settings

On 3/30/13 11:47 AM, Elisabeth wrote: Hi Justin, The corect value is 3.5e-5 but I thoiugh x/y means the ratio od these two. No, it is not a ratio. The use of "x/y" simply means both x and y. If thats nto the case I guess compressibility = 3.5e-5 0 is the correct value. What do you th

Re: [gmx-users] semi isotropic settings

Hi Justin, The corect value is 3.5e-5 but I thoiugh x/y means the ratio od these two. If thats nto the case I guess compressibility = 3.5e-5 0 is the correct value. What do you think? On 30 March 2013 11:41, Justin Lemkul wrote: > > > On 3/30/13 11:39 AM, Elisabeth wrote: > >> Hi all, >> >

Re: [gmx-users] semi isotropic settings

On 3/30/13 11:39 AM, Elisabeth wrote: Hi all, I wanted to use Pcoupltype = semiisotropicbut I am not clear about the compressibility settings if I want to keep Z directions fixed in my system and letting X and Y change. Which case 1 or 2 is correct for semi isotropic option? 1)

[gmx-users] semi isotropic settings

Hi all, I wanted to use Pcoupltype = semiisotropicbut I am not clear about the compressibility settings if I want to keep Z directions fixed in my system and letting X and Y change. Which case 1 or 2 is correct for semi isotropic option? 1) compressibility = 3.5e-5 3.5e-5 0 2