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
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