VMD-L Mailing List
From: Bin Sun (sunbinhrx_at_gmail.com)
Date: Sun Jan 15 2017 - 18:36:22 CST
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Hi All,
I want to use the cv module of VMD to calculate the alpha-helical content
of a peptide(24 residues). I first loaded the pdb file and then open the Tk
console. The following content was typed into the console:
=====================
cv molid 0
cv config {
colvar {
name alpha_content
alpha {
residueRange 1-24
}
}
}
=======================
However, the above command does not give the right result, instead, en
error message appeared saying "Error: could not find atom "O" in residue
XX(1-24), segment "MAIN" ". I doubled checked the pdb file and be sure that
no atom is missing.
Could anybody give some advice about this error ?
Thanks in advance !
Best,
Bin
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