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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