[gmx-users] Adding phosphate to protein

[Peter C. Lai]

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
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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			|
==================================================================