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that was the problem in my simulation at 1000K my ten final structures are
quite diferent after the SA. <br>
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Xavier Periole wrote:<br>
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<div><font face="Arial" size="2">Yop, sorry I meant 1000 K. 10000 K is
way too much. </font></div>
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<div><font face="Arial" size="2">Marco is right. With 11 residues it is
unlikely that your peptide has a unique</font></div>
<div><font face="Arial" size="2">conformation in solvent. It probably explore
different conformations with diffenrent</font></div>
<div><font face="Arial" size="2">probabilities. </font></div>
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<div><font face="Arial" size="2">How did you generate your 10 structures
with Modeler. I thought it needed a</font></div>
<div><font face="Arial" size="2">template !! And what isthe point of doing
an SA on a specific conformation ?</font></div>
<div><font face="Arial" size="2">You loose it at 1000K anyway !! </font></div>
<div><font face="Arial" size="2">I did some thing similar where I generated
100 conf from SA with an implicit </font></div>
<div><font face="Arial" size="2">solvent (faster) and after that I made clusters
of them. </font></div>
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<div><font face="Arial" size="2">XAvier</font></div>
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