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
========================================
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