If you know what the value was when the run ended, it should be simple
to set value1 equal to that and the steps accordingly for your next run.
Bill
On 1/14/17 10:43 PM, Kat G wrote:
> Hi all,
>
> I am running md in sander with nmr restraints (bond, angle, torsion and
> rdc). The force constant is set up to increase over time like &wt
> TYPE='REST', istep1=0, istep2=10000000, value1=0.3, value2=1.0, /
>
> Due to the expired runtime limit, the simulation stopped in the middle. I
> should have run many short runs rather than a long one. Anyway, please help
> me to continue with the remaining of this simulation.
>
> Thanks so much
> Kat
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jan 14 2017 - 23:30:03 PST
