[gmx-users] drift of simulation cell

Qing Zhu qing.zhu at ttu.edu
Wed Jun 7 23:58:49 CEST 2006

Hi All,

I am using gromacs to simulate a lipid/cholesterol mixed membrane. When 
I looked at the trajectory using VMD, the whole simulation cell 
laterally drifted very fast, and it looked like center of mass motion. 
But when I set up the simulation, I did turn off the center of mass 
motion. I don't know where this drifting motion came from, and it had 
huge influence on the calculations of system diffusion property. So does 
anyone know how to remove this kind of fast drifting motion from the 
trajectory so that I can do some correct calculations on diffusion.


Qing Zhu

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