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pairs not updated during bond rupture of CG polymer #462

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caapontes opened this issue Jul 22, 2024 · 0 comments
Open

pairs not updated during bond rupture of CG polymer #462

caapontes opened this issue Jul 22, 2024 · 0 comments
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@caapontes
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caapontes commented Jul 22, 2024

Upon bond rupture of a CG polymer model, using the homolysis plugin, the pairs, related to the rupture bond are kept. As a consequence the reducing number of existing bonds (black) do not correlate with the number of pairs (red) (
nbonds_vs_npairs_unbinding
This is contrary to the binding case, using my specbond plugin, for which pairs and bonds perfectly correlate (
nbonds_vs_npairs_bind
)

The unbinding data can be found here: /hits/fast/mbm/aponteco/BD-shear-flow-polymer/BD/scheme2/BD-crosslinks-kimmdy-unbind/0.001/3/

@KRiedmiller KRiedmiller added bug Something isn't working Priority labels Jul 26, 2024
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