From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Mon Jan 25 2010 - 07:19:48 CST
Sorry, then I'm out of ideas.
Perhaps it's a good idea to keep the namd mailing list in the cc field,
since the question started there.
Regards,
Ajasja
On Mon, Jan 25, 2010 at 10:14, ipsita basu <ibasu788_at_gmail.com> wrote:
> I followed your advice , but the problem remains same. After completion of
> minimization it gives 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 steps to 350000
> FATAL ERROR: Setting parameter steps from script failed!
>
> Please help.
>
>
> On 1/22/10, Ajasja Ljubetič <ajasja.ljubetic_at_gmail.com> wrote:
>>
>> 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
>>
>>
>>
>
>
> --
> Ipsita Basu
> Research Fellow
> c/o : Dr. Chaitali Mukhopadhyay
> Rajabazar Science College
> 92 APC Road
> Kolkata - 700009
>
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