[gmx-users] information about tau_p

pragya chohan pragyachohan at hotmail.com
Fri Mar 21 11:14:59 CET 2008


 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.
 
Cheers
 
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