[gmx-users] NM and minimisation problems

[Hua Wong]

I try to do a normal mode analysis of a molecule. What interest me is just a part I suppose to be a hinge.
                                                                                
It is my first try so don't hit me too hard...
                                                                                
My first problem is minimization.
MDRUN output tell me energy is still high for a nm run
Maximum force: 3.76287e+04
So I want to minimise, using GROMACS CG. I have searched the manuals and the user archive and see that i have to remove all constraints. That's what I am trying to do now, but I still obtain
ERROR: constraints with Conjugate Gradients not implemented
ERROR: can not do Conjugate Gradients with constraints (3217)

what are the settings I have to disable in the .mdp file to run it smoothly?

Thanks