[gmx-users] information about tau_p
Mark.Abraham at anu.edu.au
Fri Mar 21 11:26:42 CET 2008
pragya chohan wrote:
> Hi users
> Can you please tell me if in an anisotropic pressure coupling type the
> diagonal pau_p should be 0 or not. And how it can affect our simulation.
> What I mean is:
> I have ref_p = 1.0 1.0 1.0 0 0 0
> With that is it better to use tau_p= 1.0 1.0 1.0 0 0 0
> or tau_p =1 1 1 1 1 1
> and please tell me what kind of difference it can cause? As according to
> the formula tau_p comes in denominator and value 0 should not be used.
> Please tell me if I am wrong.
There's some information in section 7.3 of the manual, too.
More information about the gromacs.org_gmx-users