[gmx-users] mdp file of membrane simulation

[Mijiddorj Batsaikhan]

Dear users,

I would like to simulate a system that consists of 3 different types of
membrane models, peptides (they contain modified amino acid) and small
molecule. In this case, I would like to know peptide-peptide, peptide-small
molecule, peptide-lipid, and modified amino acid-small molecule
interactions. I prepared the system using Charmm-gui tool. How can I set
gromacs input mdp file? such as energygps tems. Please, can you suggest and
advice me?


Best regards,

Mijiddorj