LAMMPS vs. GROMACS

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1

Hi,

I have reviewed literature regarding MD simulations of a polymer-water system. I noticed that most of the groups studied this solvent-solute system have used GROMACS for their simulations.

Literature shows that both LAMMPS and GROMACS have the requirements and abilities for simulating polymer-water systems correctly. But what is the reason that most of the research groups have used GROMACS. Do you have any comment on this fact?
I have not used GROMACS so far, but MAYBE using gromacs for such systems is easier, ha?

Thank you in advance
X

2

It’s certainly probably a faster code for problems
like bio systems that it models. Try both and see
what you find (and if you get the same answers!).

Steve