Bharath.K. Chakravarthi wrote:
sir should i set dat to 0 or what to do....
I clearly stated that you should set nstxtcout > 0 in my first message. Leaving
any output control parameter set to zero means "produce output every zero steps"
or essentially, not at all.
-Justin
On Wed, Apr 14, 2010 at 5:32 AM, Bharath.K. Chakravarthi
<[email protected] <mailto:[email protected]>>
wrote:
On Wed, Apr 14, 2010 at 5:31 AM, Bharath.K. Chakravarthi
<[email protected]
<mailto:[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] <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
--
Bharath.K.Chakravarthi
Ph:9535629260
--
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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