[AMBER] tleap urea "[atom] does not have a type"

From: Daniel Konstantinovsky <daniel.konstantinovsky.yale.edu>
Date: Mon, 9 Aug 2021 16:01:14 -0400

Hello Amber,

I am trying to set up a simulation with a few urea molecules, not the whole
urea box. I generated a .off lib file for a single urea molecule, which
contains all the charges, etc. in the same order as in the 8Murea lib file.
When I try to build a prmtop, tleap decides to start creating new atoms for
the urea (this should be unnecessary) and then says "atom does not have a
type" for all the urea atoms. How can I fix this? I'm attaching all
relevant files.

Thank you!
Dan


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Received on Mon Aug 09 2021 - 13:30:02 PDT