[gmx-users] center of mass motion

[herbst at fhi-berlin.mpg.de]

Hi all,

my protein is jumping out of the box during the simulation. I tried to
center it in the box using trjconv -pbc inbox -center, but when I look at
the new trajectory, it is still leaving the box and I can't watch it.
Am I doing something wrong ?
And how can I constrain the center of mass motion in the simulation ?

Thanks,
Anna