Hello,

I noticed that the lipophilic atomic potentials of OD2 and OE2 are set to very positive values in mlp.py:

'ASP': {'C': -0.54,

'CA': 0.02,

'CB': 0.45,

'CG': 0.54,

'N': -0.44,

'O': -0.68,

'OD1': -0.68,

'OD2': 0.53}

'GLU': {'C': -0.54,

'CA': 0.02,

'CB': 0.45,

'CD': -0.54,

'CG': 0.45,

'N': -0.44,

'O': -0.68,

'OE1': -0.68,

'OE2': 0.53},

As as result the hydrophobic surface representation always show hydrophobic patchs on the carboxylates, which look quite odd to me. Is there a justification for this setting? In addition, aren't the two oxygens in the carboxylate equal considerting that they are in resonance?

Zhijie