[gmx-users] parameters for polarized ions

Cuong Nguyen nvcuong68 at gmail.com
Wed Jan 16 07:23:49 CET 2013


Dear Gmx-users,

I am investigating the system of polarized ions (NaCl) in water using the
parameters in the paper "D’Auria, R.; Tobias, D. J. J. Phys. Chem. A 2009,
113, 7286"

Could you please tell me how can I adjust the parameters (charge, epsilon,
sigma) to get the polarized ions? I am using gromos96 force field.

Thank you very much in advance.

Best regards,

Cuong



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