Hi,
Can somebody please give me a quick hint how can I apply OPLSAA and SPCE FFs on the polymer and water of my structure, respectively, in lammps? I have the coordinates of atoms, but I don’t know how apply the OPLSAA coefficients. Thank you
Hi,
Can somebody please give me a quick hint how can I apply OPLSAA and SPCE FFs on the polymer and water of my structure, respectively, in lammps? I have the coordinates of atoms, but I don’t know how apply the OPLSAA coefficients. Thank you
That should be explained in the respective publication.