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Potential error in section 3, omega torsion angles reference wrong atoms #1

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delalamo opened this issue Dec 12, 2024 · 0 comments
Open

Potential error in section 3, omega torsion angles reference wrong atoms #1

delalamo opened this issue Dec 12, 2024 · 0 comments

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@delalamo
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Hi, the atom numbers in plumed.dat for the omega angle variable (19, 26, 28, 31) refer to to the ALA CA, ALA O, PRO CD, and PRO CA respectively. Is this correct? Shouldn't it instead be ALA CA (atom 19), ALA C (atom 25), PRO N (atom 27), and PRO CA (atom 31)? Thanks
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@delalamo