PROTEIN-LIGAND SIMULATIONS

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1

Dear Lammps users,

What are the steps to achieve protein-ligand binding simulations in Lammps?

Thanks,

Kulkarni.R

2

Dear Lammps users,

What are the steps to achieve protein-ligand binding simulations in Lammps?

1) generate a suitable data file
2) write a matching input file
3) run LAMMPS

axel.