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

[Bharath.K. Chakravarthi]

sir should i set dat to 0 or what to do....


On Wed, Apr 14, 2010 at 5:32 AM, Bharath.K. Chakravarthi <
bharath.chakravarthi at gmail.com> wrote:

>
>
> 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
>



-- 
Bharath.K.Chakravarthi
Ph:9535629260
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