From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Mon Jan 25 2010 - 09:10:19 CST
Dear Ipsita,
Please have a look at:
1) the NAMD tutorial
2) the error message
3) your script
4) the NAMD user's guide
If the problem is still there, go to step 1).
Good luck,
Jerome
2010/1/22 ipsita basu <ibasu788_at_gmail.com>:
>
> 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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