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The bead SC1 is missing from the fragment library: ALA #29

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pollitus opened this issue May 24, 2024 · 0 comments
Open

The bead SC1 is missing from the fragment library: ALA #29

pollitus opened this issue May 24, 2024 · 0 comments

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@pollitus
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Hi!
Thank you for developing this tool. I'm new in coarse grained structures and simulations, so forgive me if this is a naive question.
I'm trying to convert my coarse grained structure from a simulation into an all atomistic using as ff amber99sb-ildn_slipids_tip3p and as fragments martini_3-0_slipids. It gives me this error: The bead SC1 is missing from the fragment library: ALA.
Am I doing something wrong?
Also, I noticed that in the CHOL.top of martini_3-0_slipids the name of moleculetype is wrong and need to be changed in CHOL from Cholesterol.
Thank you so much.

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