Can use fix/ti spring for any type of crystalline structure?

LAMMPS
1

Greetings,

I would like to calculate the Gibbs free energy using the Frenkel-Ladd path and the nonequilibrium implementation suggested by Freites et al. (2016) in this paper. I found that the free energy perturbation can be done using the fix ti/spring command in lammps. My question is, can this be used for any type of crystallin, including inclusion compounds like gas hydrates with any specific potential function (say SW potential)?

2

Addendum to your other post - I would highly recommend obtaining a copy of the Understanding Molecular Simulation textbook by Frenkel. So long as you can tether each atom in your lattice to a spring (as far as I understand) this pathway should be valid.

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