[gmx-users] COM group of Membrane and Protein simulation

[Mijiddorj Batsaikhan]

Dear gmx_users,

I started simulation that a peptide on membrane. My peptide locates on the
membrane surface. I have two questions relating to the simulation.
(1)
When I start the simulation, I chose COM groups separately. Is this choice
okay? or May I need to chose COM group inseparately?

(2)
During the simulation peptide is moving the edge of membrane. How can I
shift the peptide to the central section of the membrane? Can I use
-nojump, -center options of trjconv tool?


Best regards,

Mijiddorj