[gmx-users] new atom type and force field
shuangxingdai at gmail.com
Mon Jan 26 16:48:36 CET 2009
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!
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