[gmx-users] Finishing time donot showing

[Bharath.K]

I'm using gromacs-3.3.3 and here is the parameter

..
..
nstxout             =  500
nstvout             =  1000
nstfout             =  0
nstlist             =  100
nstlog              =  100
nstenergy           =  10
nstxtcout           =  500
..
..

  for writing trajectories in .mdp file and what is check point file and  
-cpi file.cpt ...
i did not get u.... :(

On Tue, 20 Apr 2010 22:20:35 +0530, XAvier Periole <x.periole at rug.nl>  
wrote:

>
>>
>> >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
>>
>
> Nothing seem particularly wrong! May be you write your trajectory file
> too often! Did the original the indicated the same amount of data to be
> written?
>
> which version of gmx you are using? actually using the check point
> file is relatively easy (-cpi fie.cpt to add to mdrun) and does all
> the work for you!
>>
>
>
>>
>> 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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