On 6/12/12 9:09 AM, rama david wrote:
Hello Justin and Ravi,

Lets explain me Why I  did simulated anealing?? ..


I synthesise peptide and I have experimental data for its self assembly,
I just want to reproduced these data.


I arranged the 32 protein in axis to petide fibre, in antiparrallel Beta sheet
structure.
I dont have crystal structure ,

Thats why I did SA in the hope that after these the side chain may be get
properly oriented with respect to each other.That will give me good structure
for production run.
  I also run system withought SA , but I get good result by following SA  
protocol.

In posrestrain only backbone is restrained and the sidechain is free to move, 
So I
think it may be help to achieve my goal.

After these I also plan  to use SA as production run, then compare the result
with previous protocols.

Please give valuable suggestion to improve my study protocol..



Seems reasonable. Stating this up front in the original message would have saved some time. Otherwise, we make assumptions ;)

-Justin

--
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
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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