Re: [AMBER] Split Coordinate files in Amber

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From: Matthew Guberman-Pfeffer <matthew.guberman-pfeffer.uconn.edu>
Date: Tue, 13 Jul 2021 13:54:04 -0400

Hi Sahar,

Did you try using the trajout <https://amberhub.chpc.utah.edu/trajout/> command in capptraj after using the strip <https://amberhub.chpc.utah.edu/strip/> command?

Best,
Matthew

> On Jul 13, 2021, at 1:49 PM, Rohanizeidanlou, Sahar <srohani3.calstatela.edu> wrote:
>
> *Message sent from a system outside of UConn.*
>
>
> Hello Amber Support Team,
>
> I have coordinate files (and topology files) of solvated complex of Protein-Ligand and I want to remove water molecule coordinates and split the remaining coordinates into Protein and Ligand coordinates. I figured how to do this for Topology files, but I couldn't find anything in Amber manual that could help with coordinate files. I appreciate if you could guide me on this.
>
> Thanks and best regards,
> Sahar
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Received on Tue Jul 13 2021 - 11:00:02 PDT