[gmx-users] Please, help me!

Akos Gellert gellert at para.chem.elte.hu
Wed Apr 21 16:18:01 CEST 2004

Hi Everybody,

I want to perform a MD simulation (NPT ensemble).

The system: Protein, SOL, Cl

Do anybody know how much is the value of the tau_t for Cl- ion at

I state the following: tau_t=0.1 ps is wrong.
                       I tried tau_t=0.01 ps. It seems to be good,
                       but it has aprox. 40 degrees fluctuation.

Many Thanks,

Akos Gellert

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