Re: [AMBER] how to run a MD of a phosphorylated protein using amber

From: YanhuaOuyang <15901283893.163.com>
Date: Mon, 4 Apr 2016 14:46:28 +0800

Hi, can you tell me how to build my phosphorylated protein structure pdb file, I don’t know how to add a phosphate group to specific residues. I try Chimera software, it seems cannot work.
> 在 2016年4月4日,下午12:30,Mijiddorj Batsaikhan <b.mijiddorj.gmail.com> 写道:
>
> Hi, first you need to build your phosphorylated protein structure pdb file.
> Then you run xleap or tleap using leaprc.ff14SB, leaprc.phosaa10
> parameters, and load pdb file. Other procedures same as basic MD
> simulations.
>
> Mijiddorj
>
> On Mon, Apr 4, 2016 at 12:21 PM, 欧阳艳华 <15901283893.163.com> wrote:
>
>> hi, I am doing a MD of phosphorylated protein, but I have no idea how to
>> handle the phosphate group on the protein. And how to prepare a pdb file
>> with adding phosphate group, is there detailed tutorial regarding how to
>> add phosphate group to specific residues, or someone knows the steps.
>>
>> _______________________________________________
>> AMBER mailing list
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
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Received on Mon Apr 04 2016 - 00:00:04 PDT
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