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
Received on Fri Feb 04 2011 - 09:30:04 PST
