Energy minimization using cg for a group of atoms

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1

Dear Lammps users

I need to minimize the energy of a single or selected group of particles using cg (conjugate gradient). I think there is no option for group selection in min_style command. Is there any other command or fix I can use to achieve the ministration so that only selected particles are the group?

Thanks

Rajesh.

2

Hi,

I think you can use fix setforce: http://lammps.sandia.gov/doc/fix_setforce.html
According to the documentation: This command can be used to freeze certain atoms in the simulation by zeroing their force, either for running dynamics or performing an energy minimization. For dynamics, this assumes their initial velocity is also zero.

Anders

3

Thank you Santosh and Anders. I will try.