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
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
