[gmx-users] Adding phosphate to protein

[reisingere at rostlab.informatik.tu-muenchen.de]

I want to add the phosphor first.
And I hoped that there is a program just like the "pdb2gmx" which adds
hydrogens to the protein.

> You haven't anwsered my question. Did you just want to add the phosphate
> before starting the simulation or were you hoping for the simulation to do
> it
> for you?
>
>
> On 2012-09-03 09:51:12AM +0200,
> reisingere at rostlab.informatik.tu-muenchen.de wrote:
>> Hi,
>> I have my protein without phosphorylations and now I want to
>> phosphorylate
>> one residue of my protein.
>> Is this possible?
>>
>> Thank you
>>
>> > can you be a bit more specific? Are you expecting to phosphorylate the
>> > protein along the trajectory or did you want to run continuous
>> simulations
>> > with different phosphorylation states?
>> >
>> >
>> > On 2012-09-03 09:30:58AM +0200,
>> > reisingere at rostlab.informatik.tu-muenchen.de wrote:
>> >> Hi everybody,
>> >>
>> >> I want to add a phosphate to my protein. Is this possible with
>> gromacs?
>> >>
>> >> Thank you
>> >>
>> >> --
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>> > --
>> > ==================================================================
>> > Peter C. Lai			| University of Alabama-Birmingham
>> > Programmer/Analyst		| KAUL 752A
>> > Genetics, Div. of Research	| 705 South 20th Street
>> > pcl at uab.edu			| Birmingham AL 35294-4461
>> > (205) 690-0808			|
>> > ==================================================================
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> --
> ==================================================================
> Peter C. Lai			| University of Alabama-Birmingham
> Programmer/Analyst		| KAUL 752A
> Genetics, Div. of Research	| 705 South 20th Street
> pcl at uab.edu			| Birmingham AL 35294-4461
> (205) 690-0808			|
> ==================================================================
>
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