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### Bug summary
gmx_mmpbsa not recognizing boron as atom type BG in my ligand
### Terminal output
```bash
The following modules were not unloaded:
(Use "module --force purge" to unload all):
…
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When importing a multi-model `pdb` file, the `b_factor` is taken from the first model, for all subsequent models.
Example pdb:
```
TITLE MDANALYSIS FRAMES FROM 0, STEP 1: Created by PDBWrite…
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- [ ] Can the PANTHER mapping change from
GO:2001020 | regulation of response to DNA damage stimulus | IBA with PTN000262496 , Q9H993
to "response to DNA damage stimulus"
(@pgaudet I don' think…
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Hi @ZakiaYahya
Please check that the model is up to date with the new version of the template and all the workflows are in place.
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Hi @carolzhou,
We are using the multiPhATE2 program in a multi-user environment, a university cluster,
We encountered some installation issues, which makes installation difficult.
We traced t…
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### Bug summary
I use the alanine scanning program in the example, but the ligands and receptors cannot be recognized. Do I need to create the PDB files of the ligands and receptors by myself?
### T…
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Hello
Your repository is very helpful in my work. I want to know about dataset. From where you get this dataset? can you share the link or name of dataset? how you have done preprocessing of datase…
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### Week 1 - Get to know the community
- [X] Join the communication channels
- [X] Open a GitHub issue (this one!)
- [X] Install the Ersilia Model Hub and test the simplest model
- [x] Write a motiva…
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Hi all,
I've been using MD for some time now on proteins only, but now I'm trying to run it with a ligand. I'm trying to use the GAFF force field to simulate the binding of HAP-18, a virus capsid m…