[gmx-users] center of mass motion

herbst at fhi-berlin.mpg.de herbst at fhi-berlin.mpg.de
Wed Jan 4 11:22:22 CET 2006

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 ?


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