Nathan Baker
Nathan Baker
@mvaliev -- another geometric flow issue; would you take this?
The PDF didn't work for me; here are the contents of the input file from the original email: ``` read mol pqr vaja_centerzz.pqr kappa dx kappa_16.9_spac0.17.dx diel dx dielx_15.9_spac0.17.dx diely_15.9_spac0.17.dx...
@intendo and @ashermancinelli - who is the write person to work on this?
Hello; thank you for reporting this. I'm adding @intendo for his help. Thank you.
Thank you! I'll work on this.
@stefdoerr -- are you able to share the patches you mentioned above? Thanks.
What is OPM?
Apparently, we built lots of PQR parsing routines for PDB2PQR and still parse PQR files manually in psize.py... why???
The `psize` command-line tool has been removed. Should we do the same for inputgen? I don't think there are many use cases for it.
I was referring to removing the command-line part -- not the entire module.