[gmx-users] Finishing time donot showing

[Bharath.K. Chakravarthi]

Sorry MDS means MD simulation
the commands are as follows

>tpbconv -s md.tpr -f md_traj.chk.trr -o md_01.tpr -until 1000
this shows last step before crashing and starts from there until 1000

then

>mdrun -s md_01.tpr -o md_traj_01.trr -c minim_water.gro -g md.log -e
minim_ener_01.edr


On Tue, Apr 20, 2010 at 7:50 PM, XAvier Periole <x.periole at rug.nl> wrote:

>
> On Apr 20, 2010, at 9:14 AM, Bharath.K wrote:
>
>  Hello all....
>> i got a system crash at some steps..
>> after creating the new .trr file using command tpbconv
>>
> trr file with tpbconv? you mean tpr?
>
>> and running MDS
>>
> what is MDS?
>
>  by mdrun command the approximate finishing time is not showing.....
>> and also a warning is showing as
>>
>> WARNING: this run may generate approximately 4583292 Mb of data....
>>
> That is a bit enormous
>
>
>> is there any changes that i should do while giving the command and can i
>> continue with this warning.....
>>
> Which exact command did you use?
>
>
>>
>> --
>> Bharath.K
>> Ph-9535629260
>> --
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-- 
Bharath.K.Chakravarthi
Ph:9535629260
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