[lammps-users] How to restrain a dihedral?

Hello,

Is there a way to restrain a dihedral or an angle in LAMMPS during energy minimization?
fix spring/self is not a solution, because what I need is just to limit the change in dihedral
not to fix any atoms. In Gromacs there is a dihedral restraint potential. I hope to find
some solution similar. Any help is appreciated!

Ting

nope - LAMMPS doesn't have this feature. Possibly you
could just make the leading K big, to stiffen the angle/dihedral,
and it will not move much during minimization. If you know
how this is done, possibly it could be added without much
trouble.

Steve

Thanks! I'll try.

Ting

Thanks! I'll try.

Ting