[gmx-users] Defined dihedral function

Hello all, I am trying to add new parameters for a molecule and I have to define dihedrals because I'll have different values for the same dihedral depending on the position they are in the molecule. My question is, where do I define the type o function for the dihedral that is defined in the

[gmx-users] What are SAsteps?

Hello all, I would like to perform a QM/MM simulation in gromacs, but when I run grompp, it asks for the value of SAsteps. I searched online for the meaning of this parameter and did not find anything. Can anyone please clarify what is the meaning of SAsteps, please? Thanks in advance and Best