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
md.mdp
Description: Binary data
-- 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
