Shuangxing Dai wrote:
Hi, all gmx users:
I am doing a simulation with NaCl (and ZnO, GaN). I start with the .pdb file. But the Gromacs cannot recognize my new atom, such as Na, Cl. How to add new atoms to Gromacs? I am going to use periodical boundary conditions and LJ potential, shell model , apply loading , and check polarization. I do not know how to set the force field for LJ potential. Anyone know this can help me ?

You need to start with a thorough understanding of chapter 5 of the manual.

Mark
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