[AMBER] alpha helical content as reaction coordinate

From: Bin Sun <sunbinhrx.gmail.com>
Date: Sun, 15 Jan 2017 12:28:15 -0500

Hi All,
I want to study the PMF of a peptide (about 22 residues) folding precess
using umbrella sampling method. Can I define a collective variable, alpha
( its value lies between 0 and 1 ) that could describe the a-helical
content of this peptide and then use this alpha as the reaction coordinate ?

Any suggestions will be highly appreciated.

Thanks in advance.

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Received on Sun Jan 15 2017 - 09:30:02 PST
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