Re: [AMBER] Preparing .pdb file for EGFR

From: Carlos Simmerling via AMBER <amber.ambermd.org>
Date: Fri, 14 Jun 2024 10:57:57 -0400

If you're not familiar with using Amber, I suggest that you start with the
tutorials at www.ambermd.org.

On Fri, Jun 14, 2024, 10:55 AM 한지승 via AMBER <amber.ambermd.org> wrote:

> Dear experts,
> I am trying to prepare .pdb file for a protein named EGFR,
> I tried the steps mentioned in:
>
> https://mattermodeling.stackexchange.com/questions/13122/amber-fails-to-generate-parameters
>
> It seems to be that the PO4 and FMM residues are not recognized. How can I
> fix this problem?
> Also, are there other steps required to prepare this protein?
> The .pdb file can be downloaded at:
> https://www.rcsb.org/structure/1XKK
>
> Thank you!
> Best,
> JiSeung Han.
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Fri Jun 14 2024 - 08:30:02 PDT