[gmx-users] loss of information trr xtc

Mark Abraham Mark.Abraham at anu.edu.au
Tue Feb 13 04:45:59 CET 2007

Qiao Baofu wrote:
> If I understand correctly, only the coordinate information can be saved 
> in .xtc. That means, all other informations, velocity, force, etc,  
> can't be reconverted into .trr again.

Yes. Loosely speaking, the xtc format stores only the changes in 
position, which requires only low precision since the positions don't 
change much from step to step and so conserving space. Since the 
velocities and forces can change radically, there's no advantage to be 
gained here.


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