Nathan Baker

PDB2PQR does not have parameters for rubidium. Could you try removing the ion from the input PDB file and let us know if that solves the problem? Thanks.

Hello -- As I mentioned in https://github.com/jensengroup/propka/issues/162, I am not able to reproduce this error using the 1FAS PDB. I need more information about the problem; ideally, the PDB file...

Hi @axm8099 -- I can't troubleshoot this because I can't see the input PDB files. I'm adding @Eo300 to see if he can debug from his side. Thanks, Nathan

Yes, this sounds very useful. Please submit a PR!

Hello -- I don't observe this problem in VMD:  Can you provide more information about how to recreate using other tools? I don't have access to ADT....

Hello -- I am not sure when I will have time to look at this in detail. However, have you tried adding a protein to the system? The protein does...

Thank you for sharing this. Could you provide the command-line options you used to generate this error?

We've been slowly working up to CIF support for PDB2PQR and other codes so I think this is feasible in the not-too-distant future.

Hello; you are correct: the list is not documented. This is a good suggestion and we will add it to the "to-do" list. We are also always looking for help...

That sounds awesome, @IAlibay. Thank you very much!