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

[Bharath.K. Chakravarthi]

On Wed, Apr 14, 2010 at 5:31 AM, Bharath.K. Chakravarthi <
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> 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 | (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
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