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 ? Thanks a lot!
Shuangxing Dai_______________________________________________
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