[gmx-users] enthalpy of ion + protein interaction

Andrew Bostick andrew.bostick1 at gmail.com
Sun Mar 16 16:17:40 CET 2014

Dear gromacs users

I want to obtain enthalpy of Cu2+ + my protein interaction.

How to calculate that? Is g_energy appropriate for my case?

Any help will highly appreciated.

More information about the gromacs.org_gmx-users mailing list