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

Hello,

I want to use this potential “ lj/charmm/coul/charmm/implicit” to simulate a protein with implicit solvent. Based on that I have some questions.
Firstly, I need to know if I have to change the charmm parameters that I use for explicit salvation systems.
Secondly, is it a good idea to use such implicit solvent model for proteins?

Amir

Hello,

I want to use this potential “ lj/charmm/coul/charmm/implicit” to simulate a protein with implicit solvent. Based on that I have some questions.
Firstly, I need to know if I have to change the charmm parameters that I use for explicit salvation systems.
Secondly, is it a good idea to use such implicit solvent model for proteins?

Neither of these questions are LAMMPS questions, but both are about the CHARMM force field.
Thus this is the wrong place to ask these kinds of questions. Try the CHARMM forums on www.charmm.org instead or study the publications on the CHARMM force field.