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 <[email protected]> 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 [email protected] > 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 [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > -- Bharath.K.Chakravarthi Ph:9535629260
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