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POP2 bead name inconsistencies #75

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biomolsim opened this issue Nov 11, 2021 · 0 comments
Open

POP2 bead name inconsistencies #75

biomolsim opened this issue Nov 11, 2021 · 0 comments

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@biomolsim
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Dear developers,

There is a difference in the POP2 naming (or maybe mapping too) scheme between the INSANE and the Martini database:

Whereas it is C2A D3A in the INSANE.

POP2.2 C1 C2 C3 - PO4 P1 P2 - GL1 GL2 C1A C2A D3A C4A - - C1B C2B C3B C4B - -

"POP2": (moltype, " C1 C2 C3 PO4 P1 P2 - GL1 GL2 C1A C2A D3A C4A - - C1B C2B C3B C4B - - "),

The bead names are D2A C3A in the Martini database:

http://cgmartini.nl/images/parameters/lipids/Phosphatidylinositols/POP2/martini_v2.0_POP2_01.itp

Thank you for reading.

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