Re: restart a simulation

From: LEWYN LI (
Date: Mon Apr 03 2006 - 12:53:57 CDT


         The dcd file is not needed to restart a trajectory. To read the
binary coordinates in the restart file, use the command "bincoordinates"
instead of "coordinates" in your config file.

         Hope this help!


On Mon, 3 Apr 2006, lily jin wrote:

> Hi,
> I have all the other files on the cluster machine except the dcd file from the last run, and I want to restart from the last run. From the configure file I cannot see the dcd file is loaded, but when I sent the job it gave me the error messege as:
> FATAL ERROR: Error reading binary file../rotation/F1_ATP_in_beta_E_dp_restart_from_17508_64nodes.restart.coor
> even the coor file is there.
> do you know if the dcd file generated by the previous simulation is used by the following restart simulation? Thank you!
> Lily
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