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
300K?
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