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

From: Hector A. Baldoni <>
Date: Mon, 09 Aug 2021 18:38:36 -0300

Hi Daniel,

The name of the atoms between the off file and the pdb file do not
match. I hope this helps.


El 2021-08-09 17:01, Daniel Konstantinovsky escribió:
> 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
> _______________________________________________
> AMBER mailing list

  Dr. Hector A. Baldoni
  Profesor Titular (FQByF-UNSL)
  Investigador Adjunto (IMASL-CONICET)
  Area de Quimica General e Inorganica
  Universidad Nacional de San Luis
  Chacabuco 917 (D5700BWS)
  San Luis - Argentina
  hbaldoni at unsl dot edu dot ar
  Tel.:+54-(0)266-4520300 ext. 6157
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Received on Mon Aug 09 2021 - 15:00:02 PDT
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