[AMBER] LEaP Error/questions.

From: Sam Walsworth (Researcher) <"Sam>
Date: Mon, 11 Jan 2021 11:45:14 +0000

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.


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Received on Mon Jan 11 2021 - 04:00:02 PST
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