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
Received on Fri Feb 04 2011 - 08:30:12 PST
