Leela S. Dodda
Leela S. Dodda
Thank you for the quick response @awvwgk ! Any suggestions on where to get started ?
@matteoaldeghi This might be an issue with Ligand itself. Let me look into it. I will get back to you soon
@matteoaldeghi Problem with AM1 semi-empirical model and CM1A charge model is that they not parameterized for charges other than +2,-2,+1,-2,0. So, I suspect how well they will perform for highly...
@matteoaldeghi I agree with you, It would be useful to allow higher charge values but it's important to realize that molecules like ATP, GTP and other nucleotides need to be...
Hi @hosyadav, Problem lies with atom typing, unfortunately instead of atom typing carbons as CF, they were assigned to be CT. I will fix this issue and let you know.
Facing the same issue. It is blocking us from adopting this for scientific coding.
Hi, Just want to add to the above issue. I am getting the following error message. When running with 1.0.27 version on MacOS ``` starting session | provider: aws_bedrock model:...
Hi, I am checking if you were able to address this issue. I am relatively new to Goose and found it incredible ! any guidance on overcoming this issue would...