Re: [AMBER] is there any tutorial for membrane protein simulations for Amber 12?

From: Albert <mailmd2011.gmail.com>
Date: Tue, 10 Apr 2012 18:06:16 +0200

Thank you very much for kind update.

If possible, would you please also specify how to insert out protein
into pre-equilibrateed membrane by Amber. Since there many
pre-equilibrated lipids are available but few comments on how to use
them for our own system nowadays.

My lab is going to buy a license for Amber 12 and I am looking forward
to your tutorial.

thanks again for kind reply.

best
Albert


On 04/10/2012 05:58 PM, Benjamin D Madej wrote:
> Hi Albert,
>
> Thanks for the question about membrane bound proteins. Amber 12 now includes the Lipid 11 modular phospholipid force field for lipids. You can check the manual for more details. We also have an upcoming paper about the force field.
>
> As for a membrane tutorial, I am working on writing one now, and it will be posted on the Amber web site.
>
> Ben Madej
>
> On Apr 10, 2012, at 5:52 AM, "Albert"<mailmd2011.gmail.com> wrote:
>
>> Dear:
>>
>> It is said that the Amber 12 has been improved a lot for membrane
>> protein simulations in the maillist for quite a long time. However I
>> don't find detailed information for this aspects, and I am wondering is
>> there any tutorial for membrane protein simulations for Amber 12?
>>
>> thank you very much
>> BET
>> Albert
>> _______________________________________________
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Received on Tue Apr 10 2012 - 09:30:03 PDT
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