[lammps-users] Insert ILs

Hi everyone,

I want to put different numbers of ionic liquids in a structure.
Is it okay to put ILs randomly into the structure with Packmol and use the fix tfmc command in LAMMPS to fix the coordinates?

I would be very grateful if you could instruct me.

Ali Molaei

Hi everyone,

I want to put different numbers of ionic liquids in a structure.
Is it okay to put ILs randomly into the structure with Packmol and use the fix tfmc command in LAMMPS to fix the coordinates?

the best way to determine whether you get the desired result is to give it a try with a suitably small test system and observe if it can produce the expected behavior.

axel.

I will try it.

Thank you.