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.
>
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Received on Sun Apr 03 2016 - 22:00:03 PDT
