[AMBER] how to neutralize protein when using intrinsic water model

From: Thakur, Abhishek <axt651.miami.edu>
Date: Mon, 14 Nov 2016 16:00:46 +0000

Hi,

I am trying to simulate my protein with intrinsic water model (GB/SA), but I am confused how to neutralize my protein?

Will adding ions be ok? As I assume ions which we add are extrinsic?


Any suggestion will be highly appreciated.
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Received on Mon Nov 14 2016 - 08:30:02 PST