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Wrong bead names in insane.py #1

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FlorianLeidner opened this issue Sep 21, 2024 · 0 comments
Open

Wrong bead names in insane.py #1

FlorianLeidner opened this issue Sep 21, 2024 · 0 comments

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@FlorianLeidner
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Hi,
I think there is a typo in insane.py definition of the SAXX lipids.

The current atomnames are:

"SAPI": (moltype, " C1 C2 C3 C4 PO4 - - - GL1 GL2 C1A D2A D3A D4A C5A - C1B C2B C3B C4B - -"),

Whereas in the topology the first bead of arachidonoyl is named D1A.

Best,
Florian
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@FlorianLeidner