[gmx-users] velocity

Atila Petrosian atila.petrosian at gmail.com
Mon May 28 18:12:13 CEST 2018


Dear Justin,

In my last md simulation, I used

nstxout = 1000
nstvout = 1000
nstxtcout         = 1000
nstenergy = 1000
nstlog = 1000

After your suggestion, I used gmx traj -f npt.xtc -s npt.tpr  -ov veloc.xvg
-n index.ndx

veloc.xvg file is as follows:

---------------------------------------------------------

@    title "Velocity"
@    xaxis  label "Time (ps)"
@    yaxis  label "Velocity (nm/ps)"
@TYPE xy
@ view 0.15, 0.15, 0.75, 0.85
@ legend on
@ legend box on
@ legend loctype view
@ legend 0.78, 0.8
@ legend length 2
@ s0 legend "atom 1 X"
@ s1 legend "atom 1 Y"
@ s2 legend "atom 1 Z"
.
.
.
@ s2838 legend "atom 947 X"
@ s2839 legend "atom 947 Y"
@ s2840 legend "atom 947 Z"        *** (last line of file) ***

----------------------------------------------------------

There is no velocity values. Is my manner wrong?


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