[gmx-users] binding delta G, H and S for ion-protein

Andrew Bostick andrew.bostick1 at gmail.com
Mon Mar 17 09:09:28 CET 2014

Dear Justin

Very thanks for your guidance.

You are right. Excuse me for my several questions. I am beginner in

If I want to calculate delta H IN potein-ions interaction, can I use

Is Enthalpy by g_energy exact?

Is there a more appropriate tool for calculating delta H in gromacs?

Best wishes

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