[gmx-users] why g_tune_pme generate .trr file?

Albert mailmd2011 at gmail.com
Tue Oct 16 16:50:25 CEST 2012


  I am using g_tune_pme to optimize my MD performance by command:

g_tune_pme -np 144 -v -s npt1.tpr -c npt1.gro -launch -x npt1.xtc -g 

here is the parameters which I used in .mdp file:

; Parameters controlling output writing
; nstxout        = 10000        ; Write coordinates to output .trr file 
every 2 ps
; nstvout        = 10000        ; Write velocities to output .trr file 
every 2 ps

nstxtcout    =10000 ;
nstenergy    = 5000        ; Write energies to output .edr file every 2 ps
nstlog        = 5000        ; Write output to .log file every 2 ps

as we can see, I've removed the output for .trr file, but the g_tune_pme 
still generate a .trr file called : traj.trr

I am wondering why it still generate .trr file? is it possible to 
disable it generate .trr file? I only need the .xtc file.

thank you very much

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