This same question was asked just a few days ago. You can find the
beginning of the thread here: http://archive.ambermd.org/201612/0203.html
HTH,
Jason
On Sun, Dec 18, 2016 at 9:01 PM, 上海科技大学 吴萌 <wumeng.shanghaitech.edu.cn>
wrote:
> Hi,
> I want to study the change of the protonation states of a channel
> protein under different pH by MD simulation. I have tried "Constant pH MD
> Example Calculating pKas for titratable side chains in HEWL"(
> http://ambermd.org/tutorials/advanced/tutorial18/), but a main problem
> is that my ptotein is a membrane protein, and maybe the Generalized Born
> implicit solvent method in the tutorial is unsuitable for my system. So is
> any other methods to apply the CpHMD for membrane protein?
> I am looking forward to receiving your reply. Thanks!
>
>
> Sincerely,
> Meng,Wu
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>
--
Jason M. Swails
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Received on Sun Dec 18 2016 - 21:00:03 PST
