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This repository has been archived by the owner on Feb 15, 2022. It is now read-only.
I'm trying to generate opls-aa topology for cellulose chain. Using LigParGen executable installed on my local computer, I get the following error. It's so confusing for me, because using Ligpargen website the topology is generated easily for me.
I appreciate your helps very much
Issue Information
I'm trying to generate opls-aa topology for cellulose chain. Using LigParGen executable installed on my local computer, I get the following error. It's so confusing for me, because using Ligpargen website the topology is generated easily for me.
I appreciate your helps very much
KeyError: 'ANGfinal'
Expected Behavior
I expected topology generation
Actual Behavior
cellulose.txt
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