[gmx-users] Re: trjconv center problem

Brad Van Oosten bv07ay at brocku.ca
Fri Apr 19 22:37:28 CEST 2013

Ahh, yes perhaps i was unclear.  The output file also has the same number of

Checking file md50_centered.xtc
Reading frame       0 time    0.000   
# Atoms  27392
Precision 0.001 (nm)
Last frame      50000 time 100000.000   

Item        #frames Timestep (ps)
Step         50001    2
Time         50001    2
Lambda           0
Coords       50001    2
Velocities       0
Forces           0
Box          50001    2

The simulation is of a pure lipid bilayer, so the result of the centering
option is that 99.9% of output frames have the lipid tales centered in the
box while the 0.1% of frames seem not to be centered with the water at the
center of the box.

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