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

[Bharath.K. Chakravarthi]

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
>
> ========================================
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>



-- 
Bharath.K.Chakravarthi
Ph:9535629260
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100414/34aa020b/attachment.html>