[gmx-users] Lennard-Jones potential for protons

[Jong Wha Lee]

Dear Gromacs Users,

 

Hi, I'm trying to simulate a system with a free proton included. However, I
wasn't able to find Lennard-Jones parameters for free protons in charmm,
amber, and opls ff. On the other hand, there are parameters for other
cations such as Na, K, etc.

Is there any reason why parameters for free protons are not included? Or is
there any way I may find appropriate parameters?

 

Thank you very much in advance,

 

Jong Wha