[gmx-users] Protein encapsulation

[Anthony Cruz Balberdi]

Dear user:

I am planning to run some simulations of a protein encapsulated using
a rigid polymer but I not sure of what approach will be better. I was
thinking in using position restraint or freeze groups. Which procedure
will not cause problems or artifacts in the simulation? Any other idea
on how I could do it? Any help will be appreciated.

Best regards,

Anthony