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
>>>>>
>>>>
>>>> _______________________________________________
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>>>> 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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Received on Fri Feb 04 2011 - 09:00:06 PST
