Dear LAMMPS and PLUMED developers and users,
I am new users of PLUMED. However, i have carried out extensive MD simulations using LAMMPS. Now, I am very much interested in the crystallization of aluminium. Therefor, I would request to all of you please help me carry out MD simulation of aluminium using LAMMPS+PLUMED. Actually, i dont know how to calculate Gibbs free energy surface (FES) as a function of enthalpic and entropic colllective variables during crystallization process using LAMMPS + PLUMED + WTMETAD and VES. Can anyone provide link of tutorial or sample input script of LAMMPS+PLUMED.
I will be to much grateful to you
Thank you
WITH REGRADS
Dear LAMMPS and PLUMED developers and users,
I am new users of PLUMED. However, i have carried out extensive MD simulations using LAMMPS. Now, I am very much interested in the crystallization of aluminium. Therefor, I would request to all of you please help me carry out MD simulation of aluminium using LAMMPS+PLUMED. Actually, i dont know how to calculate Gibbs free energy surface (FES) as a function of enthalpic and entropic colllective variables during crystallization process using LAMMPS + PLUMED + WTMETAD and VES. Can anyone provide link of tutorial or sample input script of LAMMPS+PLUMED.
as already pointed out to you previously, the way to learn what is the procedure for free energy calculations, is to learn from the published literature and text books.
beyond that, this is more a question of how to apply PLUMED and less of the hosting MD code, so you may have more luck asking in a PLUMED forum, considering how few different people respond to requests here and how low the probability among them is to be an expert PLUMED user.
axel.