Hi all
When you load a complex into LEaP using complex = loadpdb ... does that pdb file have to be all atoms or just the coordinates of the heavy non-hydrogen atoms?
Also I got fatal errors saying atom does not have a type when I tried to create parameters. From what I'm reading the file may contain incorrect names and I'm wondering if having accidentally omitted running pdb4amber may cause this.
Sam
University of Huddersfield inspiring global professionals.
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Received on Mon Jan 11 2021 - 04:00:02 PST
