[gmx-users] adding nonbonded potentials?

Rahul Karyappa r.karyappa at ncl.res.in
Thu Dec 8 08:03:51 CET 2005

Dear all,
     For my model structure, the nonbonded potentials are not available in the forcefield files. First I added the LJ 6 12 potentials arbitrarily. But the simulation gets collapsed. I think I need to add correct potentials for all the atoms. But I don't have LJ 6 12 potentials. I searched literature also but it is not available. But I have other kinds potentials like VDW-Morse etc. How can I get LJ 6 12 potentials from these other potentials?
Please let me know if anyone has done this before. Thanking you ion advance.

Rahul Karyappa

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