[gmx-users] Query regarding phosphothreonine parameters

[Justin A. Lemkul]

nikhil damle wrote:
> 
> Hello,
> 
> Where will I get Phosphothreonine parameters ? I have tried to 
> incorporate gamma-Phosphate parameters from ATP in the threonine residue 
> but in vain.
> 

The answer for parameterization is always the same:

http://oldwiki.gromacs.org/index.php/Parameterization

There are parameters out there for phosphorylated amino acids, compatible with 
ffG43a1:

Hansson, Nordulund, and Aqvist. (1997) J. Mol. Biol. 265: 118-127.

But simply saying you've tried and failed is useless.  If you describe which 
force field you're trying to use, what you've done, and what the actual problem 
is, you're likely to inspire someone to help you.

-Justin

> regards,
> Nikhil
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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