For ion-ion interactions, are MB-nrg PEFs available?

[Canjun Zhao]

Dear MBX users,

I want to simulation the icing of NaCl solution.Now, for ion-ion interactions, are MB-nrg PEFs available?

best

Canjun

[Canjun Zhao]

Hello,

For Na-Cl interactions, are MB-nrg PEFs available?

best

[Francesco Paesani]

Hi Canjun,

Thank you for your interest in MBX. We are planning to release the full set of MB-nrg potentials for halide and alkali metal ions early next year. We will post an announcement here and on our group webpage when they are released.

All the best,
The MBX Team

[Canjun Zhao]

many thanks!