[gmx-users] binding delta G, H and S for ion-protein
andrew.bostick1 at gmail.com
Sun Mar 16 16:48:37 CET 2014
Dear groamcs users
I want to calculate binding delta G.
I know g_lie tool is used to calculate delta G for protein-ligand or
Can I use g_lie tool o calculate delta G for binding some ions to one
Generally, which toolS of gromacs are appropriate for delta G, delta S and
delta H for binding some ions to one protein molecule?
Any help will highly appreciated
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