[lammps-users] pair_style lj/charmm/coul/charmm/implicit

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1

Dear Lammps User,

I am looking for using pair_style lj/charmm/coul/charmm/implicit as my pari style. As I looked at it, I realized that this pair style calculation is the same as lj/charmm/coul/charmm except that a 1/r is added to the Columbic formula. Based on that I intend to know if I have to define a new value of dielectric constant (80 for water) or there mustn’t be any difference.
As I mentioned earlier, this pair style does the calculation based on lj/charmm/coul/charmm. Based on that can I use the same parameters for the explicit system for my implicit simulations?

Amir

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As already indicated in my response to a similar question 10 days ago, this is not really a LAMMPS question but a question about how to use the CHARMM force field. Thus you should not ask this kind of question here, but in a CHARMM forum where you may find people familiar with this specific way of using CHARMM parameters.