Hello Carlos
All the restart file were started at the same time.
> 3256 is # atoms, the next number is time,a nd the next is temperature.
>
> On Fri, Feb 4, 2011 at 12:02 PM, Sangita Kachhap <sangita.imtech.res.in> wrote:
>>
>> ok first line of restart file
>>
>> 3256 0.1800000E+04 0.2528000E+03
>> 25.8414192 224.9967359 62.8976041 25.5431863 225.9360773 62.6767017
>> 25.3642779 224.6279736 63.7078205 25.5008764 224.4509853 62.1189598
>> 27.3121423 224.9261382 63.0212606 27.5526754 225.4962383 63.9186066
>> 27.8731823 223.5267839 63.3166257 28.9062836 223.6300127 63.6485084
>>
>>
>>> can you paste the first 3 lines from one of your restart files?
>>>
>>> On Fri, Feb 4, 2011 at 11:43 AM, Sangita Kachhap <sangita.imtech.res.in>
>>> wrote:
>>>> I have chacked in restart file time is not written there.
>>>>
>>>>> I meant to check the time stamp inside the restart file- the one that
>>>>> specifies the simulation time when the restart file was written.
>>>>> http://ambermd.org/formats.html#restart
>>>>>
>>>>> On Fri, Feb 4, 2011 at 11:21 AM, Sangita Kachhap <sangita.imtech.res.in>
>>>>> wrote:
>>>>>>
>>>>>> Thanks to reply
>>>>>>
>>>>>> I am using Amber11 and have all the restart files.
>>>>>> All the file dont have started at the same time:-
>>>>>>
>>>>>> [sangita.master1 REMD-ASP]$ head remd.mdout.001
>>>>>>
>>>>>> -------------------------------------------------------
>>>>>> Amber 11 SANDER 2010
>>>>>> -------------------------------------------------------
>>>>>>
>>>>>> | Run on 02/01/2011 at 10:19:19
>>>>>> [-O]verwriting output
>>>>>>
>>>>>> File Assignments:
>>>>>> | MDIN: remd.mdin.001
>>>>>> [sangita.master1 REMD-ASP]$ head remd.mdout.002
>>>>>>
>>>>>> -------------------------------------------------------
>>>>>> Amber 11 SANDER 2010
>>>>>> -------------------------------------------------------
>>>>>>
>>>>>> | Run on 02/01/2011 at 10:19:19
>>>>>> [-O]verwriting output
>>>>>>
>>>>>> File Assignments:
>>>>>> | MDIN: remd.mdin.002
>>>>>> [sangita.master1 REMD-ASP]$ head remd.mdout.003
>>>>>>
>>>>>> -------------------------------------------------------
>>>>>> Amber 11 SANDER 2010
>>>>>> -------------------------------------------------------
>>>>>>
>>>>>> | Run on 02/01/2011 at 10:19:19
>>>>>> [-O]verwriting output
>>>>>>
>>>>>> File Assignments:
>>>>>> | MDIN: remd.mdin.003
>>>>>> [sangita.master1 REMD-ASP]$ head remd.mdout.004
>>>>>>
>>>>>> -------------------------------------------------------
>>>>>> Amber 11 SANDER 2010
>>>>>> -------------------------------------------------------
>>>>>>
>>>>>> | Run on 02/01/2011 at 10:19:19
>>>>>> [-O]verwriting output
>>>>>>
>>>>>> File Assignments:
>>>>>> | MDIN: remd.mdin.004
>>>>>> [sangita.master1 REMD-ASP]$ head remd.mdout.005
>>>>>>
>>>>>> -------------------------------------------------------
>>>>>> Amber 11 SANDER 2010
>>>>>> -------------------------------------------------------
>>>>>>
>>>>>> | Run on 02/01/2011 at 10:20:08
>>>>>> [-O]verwriting output
>>>>>>
>>>>>> File Assignments:
>>>>>> | MDIN: remd.mdin.005
>>>>>> [sangita.master1 REMD-ASP]$ head remd.mdout.006
>>>>>>
>>>>>> -------------------------------------------------------
>>>>>> Amber 11 SANDER 2010
>>>>>> -------------------------------------------------------
>>>>>>
>>>>>> | Run on 02/01/2011 at 10:20:08
>>>>>> [-O]verwriting output
>>>>>>
>>>>>> File Assignments:
>>>>>> | MDIN: remd.mdin.006
>>>>>> [sangita.master1 REMD-ASP]$ head remd.mdout.007
>>>>>>
>>>>>> -------------------------------------------------------
>>>>>> Amber 11 SANDER 2010
>>>>>> -------------------------------------------------------
>>>>>>
>>>>>> | Run on 02/01/2011 at 10:20:08
>>>>>> [-O]verwriting output
>>>>>>
>>>>>> File Assignments:
>>>>>> | MDIN: remd.mdin.007
>>>>>> [sangita.master1 REMD-ASP]$ head remd.mdout.008
>>>>>>
>>>>>> -------------------------------------------------------
>>>>>> Amber 11 SANDER 2010
>>>>>> -------------------------------------------------------
>>>>>>
>>>>>> | Run on 02/01/2011 at 10:20:08
>>>>>> [-O]verwriting output
>>>>>>
>>>>>> File Assignments:
>>>>>> | MDIN: remd.mdin.008
>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>>> please tell us more, such as Amber version, and if you have all restart
>>>>>>> files.
>>>>>>> use the "head" command to check and make sure all files have the same
>>>>>>> simulation time and there is a file for each temperature.
>>>>>>>
>>>>>>> On Fri, Feb 4, 2011 at 10:21 AM, Sangita Kachhap <sangita.imtech.res.in>
>>>>>>> wrote:
>>>>>>>> Hello all
>>>>>>>> I am running REMD (production run) it has stooped running due to cluster
>>>>>>>> error.
>>>>>>>> I want to restart it.
>>>>>>>> As Amber manual there is option if use -A in command line it wiil help
>>>>>>>> in
>>>>>>>> restarting
>>>>>>>> REMD simulation. I go through the amber mailing list there also I didnt
>>>>>>>> get
>>>>>>>> any
>>>>>>>> idea.
>>>>>>>>
>>>>>>>> can anyone sugesst to how restart REMD?
>>>>>>>>
>>>>>>>> With regard
>>>>>>>> Sangita Kachhap
>>>>>>>> JRF
>>>>>>>> BIC,IMTECH
>>>>>>>> CHANDIGARH
>>>>>>>>
>>>>>>>>
>>>>>>>> _______________________________________________
>>>>>>>> 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
>>>>>>>
>>>>>>
>>>>>>
>>>>>> Sangita Kachhap
>>>>>> JRF
>>>>>> BIC,IMTECH
>>>>>> CHANDIGARH
>>>>>>
>>>>>>
>>>>>> _______________________________________________
>>>>>> 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
>>>>>
>>>>
>>>>
>>>> Sangita Kachhap
>>>> JRF
>>>> BIC,IMTECH
>>>> CHANDIGARH
>>>>
>>>>
>>>> _______________________________________________
>>>> 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
>>>
>>
>>
>> Sangita Kachhap
>> JRF
>> BIC,IMTECH
>> CHANDIGARH
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH
_______________________________________________
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Received on Fri Feb 04 2011 - 21:30:04 PST
