sir should i set dat to 0 or what to do....
On Wed, Apr 14, 2010 at 5:32 AM, Bharath.K. Chakravarthi < [email protected]> wrote: > > > On Wed, Apr 14, 2010 at 5:31 AM, Bharath.K. Chakravarthi < > [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]>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 >> > > > > -- > Bharath.K.Chakravarthi > Ph:9535629260 > -- Bharath.K.Chakravarthi Ph:9535629260
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