[gmx-users] Extend the simulation

[Elsaid Younes]

Hi,

The mdrun I did was gmx mdrun -deffnm md_0_1
I write the command
 mdrun -cpi md_0_1_prev.cpt -append
 I tried to use -noappend, but still doesn't work.

/Elsaid

On Sun, Feb 21, 2016 at 2:43 AM, Elsaid Younes <elkhot at gmail.com> wrote:

> Still asks for topol.tpr? Can I have that file
>
>
> /Elsaid
> On 2/20/16 6:49 PM, Elsaid Younes wrote:
> >* Hi,
> *>>>* If I have this file md_0_1_prev.cpt What is the text exactly? It asks
> *>* for topol.tpr
> *
> I gave you the command-line options that are new to the mdrun command line.  Run
> whatever mdrun you did before, but add -cpi -append.  Doing this is a routine
> task, covered on the website and in half a million posts in the archive (Google
> is your friend).
>
> -Justin
>
> >* On 2/20/16 5:32 PM, Elsaid wrote:
> *>>* * The simulation has the time,  which is time of the wanted simulation. But the
> *>* *>* job was killed by the server.
> *>* *
> *>* If the simulation terminated prior to completion, you don't need to operate on
> *>* the .tpr file at all.  Just continue from the last checkpoint
> *>>* mdrun -cpi -append
> *>>* -Justin*
>
>
> On Sun, Feb 21, 2016 at 1:49 AM, Elsaid Younes <elkhot at gmail.com> wrote:
>
>> Hi,
>>
>>
>> If I have this file md_0_1_prev.cpt What is the text exactly? It asks for topol.tpr
>> On 2/20/16 5:32 PM, Elsaid wrote:
>> >* The simulation has the time,  which is time of the wanted simulation. But the
>> *>* job was killed by the server.
>> *
>> If the simulation terminated prior to completion, you don't need to operate on
>> the .tpr file at all.  Just continue from the last checkpoint
>>
>> mdrun -cpi -append
>>
>> -Justin
>>
>> --
>> ==================================================
>>
>> Justin A. Lemkul, Ph.D.
>> Ruth L. Kirschstein NRSA Postdoctoral Fellow
>>
>> Department of Pharmaceutical Sciences
>> School of Pharmacy
>> Health Sciences Facility II, Room 629
>> University of Maryland, Baltimore
>> 20 Penn St.
>> Baltimore, MD 21201
>> jalemkul at outerbanks.umaryland.edu <https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users> | (410) 706-7441http://mackerell.umaryland.edu/~jalemkul
>>
>>
>>
>> On Sun, Feb 21, 2016 at 12:32 AM, Elsaid <elkhot at gmail.com> wrote:
>>
>>> The simulation has the time,  which is time of the wanted simulation.
>>> But the job was killed by the server.
>>> /Elsaid
>>>
>>
>>
>