Thank you very much for your replay sir... On Wed, Apr 14, 2010 at 5:36 AM, Justin A. Lemkul <[email protected]> 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 < >> [email protected] <mailto:[email protected]>> >> wrote: >> >> >> >> On Wed, Apr 14, 2010 at 5:31 AM, Bharath.K. Chakravarthi >> <[email protected] >> <mailto:[email protected]>> 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 >> <[email protected] <mailto:[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 <http://vt.edu> | (540) 231-9080 >> >> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin >> >> ======================================== >> -- gmx-users mailing list [email protected] >> <mailto:[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] >> <mailto:[email protected]>. >> >> Can't post? Read >> http://www.gromacs.org/mailing_lists/users.php >> >> >> >> >> -- 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 > > ======================================== > -- > 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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