[gmx-users] drift of simulation cell
qing.zhu at ttu.edu
Wed Jun 7 23:58:49 CEST 2006
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.
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