Bharath.K. Chakravarthi 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...
No, this is not what I said. These are different settings entirely. nstxout is
for the .trr file, nstxtcout is for the .xtc file. As I said, please consult
the manual for appropriate settings.
-Justin
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
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--
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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