Re: [AMBER] Can a PDB be loaded directly into cpptraj without a topology?

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From: Matthew Guberman-Pfeffer <matthew.guberman-pfeffer.uconn.edu>
Date: Sat, 25 Sep 2021 14:33:15 -0400

Thank you Thomas for the clarification, and Carlos, for the original replies.
I misunderstand Carlos’s reply, and I apologize for that. I didn’t realize that one could do “parm <name>.pdb”.

Best,
Matthew

> On Sep 25, 2021, at 2:23 PM, Thomas Cheatham <tec3.utah.edu> wrote:
>
> *Message sent from a system outside of UConn.*
>
>
> I'd say read the manual, but as Carlos said, load the PDB as a topology with the parm command. --tec3
>
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Received on Sat Sep 25 2021 - 12:00:02 PDT