Dear all,
I tried to solvate my protein-ligand complex in tleap and found that there is a quite big empty space in the binding pocket. The reason is the pocket is quite huge while the ligand is rather small, even after equilibrium the space is still empty. I just wondering is it common that solvation method is not so good for AMBER to treat inner pocket?
Regards,
Zhenquan Hu
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Received on Tue Dec 04 2012 - 09:00:02 PST
