[gmx-users] why g_tune_pme generate .trr file?
Albert
mailmd2011 at gmail.com
Tue Oct 16 16:50:25 CEST 2012
hello:
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
npt1.log
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
best
Albert
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