On Tue, Mar 09, 2021, Kellon Belfon wrote:
>I am not sure if we want to allow pdb files being written with
>the default oxygen radius but since generating the parm7 file will fail
>without the parameters then it may be okay?
I think it's OK: pdb files don't have radii in them anyway, unless one asks
for the pqr option. There are times when one wants to write a PDB file even
when there are missing parameters (not just OW/HW).
....dac
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Received on Wed Mar 10 2021 - 05:30:04 PST
