I checked every tutorial and other responses about my problem. I tried to half
the step size (i.e. 0.0005 fs) and increase the time of solvent relaxation
(from 100 to 200ps).
Btw, the initial density of the system is 0.80 and sander terminates around
0.69.
I will try other suggestions.
Thanks for all your help,
Murat CETINKAYA
On Mon, 18 Oct 2004 10:47:58, Bill Ross wrote:
> > when I try to run sander with high system temperatures (more then
500K)sander
> > gives out an error saying that: volume of ucell too big, too many subcells
>
> Have you seen the amber web material on equilibration?
>
> > I am also aware that the density continuously falls
> > during the constant pressurerun.
>
> If the density is approaching 1.0, then this is what you want.
>
> Bill
>
>
>
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Received on Mon Oct 18 2004 - 19:53:00 PDT
