What is the difference between Lj/charmm/coul/long & lj/cut/coul/long pair style in lammps?

LAMMPS LAMMPS Beginners
1

Hello,

I would like to know the difference between Lj/charmm/coul/long & lj/cut/coul/long pair style in Lammps. Generally, for water in oplsaa forcefield it is used lj/cut/coul/long pair style. However, I am dealing with a polymer simulation which use the Lj/charmm/coul/long pair style. Using two different pair style for water & polymer combined simulation will not let me use the pair modify mix arithmetic .

So I am thinking can I use the Lj/charm/coul/long pair style for oplsaa force-field for water? Is there a big difference between Lj/charmm/coul/long & lj/cut/coul/long pair style that lead me to unrealistic property of water?

2

Do you want me to read the manual for you?
Grab the PDF shipped with the source code and head to section 4.34 pair_style lj/charmm/coul/long command.

1 Like
3

Just run some test simulations trying to reproduce published properties to figure it out. That is the scientific way to get answers to this kind of question, if you cannot figure it out from other sources.

4

I had thought the same. Thank you Dr. Axel for your instructions.