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
>
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Received on Fri Feb 04 2011 - 08:30:13 PST
