[gmx-users] *.xtc file is not getting created by mdrun program :(

Justin A. Lemkul jalemkul at vt.edu
Wed Apr 14 14:18:21 CEST 2010

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.


> so please can u help me out of this mesh.......
> -- 
> Bharath.K.Chakravarthi
> Ph:9535629260


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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