[obasekia]

Good day all, i have a question about  determining of GaMD by updating. when determining the parameters by updating, if my system has not converged should i extend the  number step until i have convergence?

[oshima]

Hi obasekia,

The time for convergence strongly depends on the system. We could not know the convergence time a priori. If the time is very long, we cannot perform the simulations until the GaMD parameters converge. I recommend you stop updating the parameters when their changes became slowly.

Thanks

Hiraku Oshima