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atultiwarig_mmpbsa's Issues
Option to select Ligand is not appearing
Hi,
First of all thank you very much for updating this repo.
I successfully installed it in WSL Ubuntu 20.04
But while running the MMPBSA command, I only get option to select 1st molecule (protein). In older version there used to be option to select lignad, but here it's not even asking to select ligand (screenshot attached) ultimately throwing up error.
Kindly help me figure out how to solve it.
Thank you
Atul
Installation Method
Is this tool compatible with Gromacs 2022 and how do I install it?
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