[gmx-users] *.xtc file is not getting created by mdrun program :(

[Bharath.K. Chakravarthi]

Thank you very much for your replay sir...

On Wed, Apr 14, 2010 at 5:36 AM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> Bharath.K. Chakravarthi wrote:
>
>> sir should i set dat to 0 or what to do....
>>
>>
> I clearly stated that you should set nstxtcout > 0 in my first message.
>  Leaving any output control parameter set to zero means "produce output
> every zero steps" or essentially, not at all.
>
> -Justin
>
>
>> On Wed, Apr 14, 2010 at 5:32 AM, Bharath.K. Chakravarthi <
>> bharath.chakravarthi at gmail.com <mailto:bharath.chakravarthi at gmail.com>>
>> wrote:
>>
>>
>>
>>    On Wed, Apr 14, 2010 at 5:31 AM, Bharath.K. Chakravarthi
>>    <bharath.chakravarthi at gmail.com
>>    <mailto:bharath.chakravarthi at gmail.com>> wrote:
>>
>>        Thank you for your kind replay sir....
>>        sir in my .mdp file there is nstxtout instead of nstxtcout sir
>>        and it is set to 500
>>        is this what u told...
>>        i have also attached the .mdp file in this mail sir
>>
>>        On Wed, Apr 14, 2010 at 5:18 AM, Justin A. Lemkul
>>        <jalemkul at vt.edu <mailto:jalemkul at vt.edu>> wrote:
>>
>>
>>
>>            Bharath.K. Chakravarthi wrote:
>>
>>                hi there i tried to run MD and i wanted to use *.xtc
>>                file in vmd to visualize the protein but unfortunately
>>                there is no such file i given the command like this
>>                mdrun -nice 0 -v -s input3.tpr -o md_traj.trr -x
>>                md_traj.xtc -c md_final.gro -e md_ener.edr
>>                as procedure this should create md_traj.xtc file rite.....
>>
>>
>>            Provided that you have set nstxtcout > 0 in the .mdp file.
>>             The default is 0 (no .xtc file).  Consult the manual for
>>            appropriate settings.
>>
>>            -Justin
>>
>>
>>                so please can u help me out of this mesh.......
>>
>>                --                 Bharath.K.Chakravarthi
>>                Ph:9535629260
>>
>>
>>            --             ========================================
>>
>>            Justin A. Lemkul
>>            Ph.D. Candidate
>>            ICTAS Doctoral Scholar
>>            MILES-IGERT Trainee
>>            Department of Biochemistry
>>            Virginia Tech
>>            Blacksburg, VA
>>            jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
>>
>>            http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>
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>>
>>
>>        --         Bharath.K.Chakravarthi
>>        Ph:9535629260
>>
>>
>>
>>
>>    --     Bharath.K.Chakravarthi
>>    Ph:9535629260
>>
>>
>>
>>
>> --
>> Bharath.K.Chakravarthi
>> Ph:9535629260
>>
>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
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-- 
Bharath.K.Chakravarthi
Ph:9535629260
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