From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Fri Jan 22 2010 - 01:48:34 CST
Hello,
You could try changing
"350000 steps"
to
"steps 350000"
Regards,
Ajasja Ljubetič
On Fri, Jan 22, 2010 at 06:36, ipsita basu <ibasu788_at_gmail.com> wrote:
>
> Dear all,
> I want to do minimization,heating,equilibration and simulation
> of a lipid bilayer. My script is attached with it. But in the minimization
> process,there is no problem. But then the job is aborted giving following
> error:
> WRITING EXTENDED SYSTEM TO RESTART FILE AT STEP 5000
> WRITING COORDINATES TO DCD FILE AT STEP 5000
> WRITING COORDINATES TO RESTART FILE AT STEP 5000
> FINISHED WRITING RESTART COORDINATES
> WRITING VELOCITIES TO RESTART FILE AT STEP 5000
> FINISHED WRITING RESTART VELOCITIES
> TCL: Setting parameter 350000 to steps
> FATAL ERROR: Setting parameter 350000 from script failed!
>
> What should I do? Is there any problem in the script? Please help.
>
>
> Thanking you
>
> Ipsita Basu
>
> --
> Ipsita Basu
> Research Fellow
> c/o : Dr. Chaitali Mukhopadhyay
> Rajabazar Science College
> 92 APC Road
> Kolkata - 700009
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