We are currently working on LAMMPS and we want to simulate hydrogen adsorption on a graphene sheet. So what is the suitable method to it.
Probably the easiest way for beginners is using Avogadro.
As long as you are familiar with Lammps, I suggest you considering to use the "fix deposit" command to generate the H2 deposition structure.
http://lammps.sandia.gov/doc/fix_deposit.html
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kindly reply me. Thanking you in advance.
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Molecular docking software/ websites?
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