[gmx-users] Tau_t values

Fernando Mattio mattiofer at gmail.com
Fri Mar 3 13:23:16 CET 2006

Dear all,

I have performed simulations in which my reference pressure and reference
temperature values were 1 bar and 263 K. I don´t have many knowledges about
the Tau_t and Tau_p values, so I performed many simulations to evaluate
these parameter in my system, in order to get pressure and temperature close
to these values. I observed in the forum that most users uses as standard
tau_t = 0,1 and tau_p = 1,0, but the values that I obtain in my case are far
away from the reference ones when I use these "standard" values.
I made tests with tau_p = 1, and tau_t I varied from 0,500 until 0,001. Only
close to 0,005 I have pressure and temperature close to the reference
values. But I don´t know if it is all right to work with so low values for
tau_t. Does anybody has experience with such low values? What would be the
consequences by using these values?
Thank you once more for your attention,
Best regards,
Fernando Mattio
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