Re: [AMBER] Fw: parameterization of ligand+protein complex

From: Hira Jabeen <hira_bioinfo.yahoo.com>
Date: Tue, 18 Jun 2019 16:13:58 +0000 (UTC)

 Hi Dan,I am using Amber18 with Ambertool19. The leap and frcmod files are attached here with. Thanks
    On Tuesday, June 18, 2019, 05:10:52 PM GMT+1, Daniel Roe <daniel.r.roe.gmail.com> wrote:
 
 Hi,

You should state the version of AmberTools you are using, as well as
the exact input you are giving to leap.

-Dan

On Tue, Jun 18, 2019 at 6:28 AM Hira Jabeen <hira_bioinfo.yahoo.com> wrote:
>
>
>
>    ----- Forwarded Message ----- From: Hira Jabeen <hira_bioinfo.yahoo.com>To: amber.ambermd.org <amber.ambermd.org>Sent: Friday, June 14, 2019, 05:09:46 PM GMT+1Subject: parameterization of ligand+protein complex
>  Hi Amber Team,
> I am using Amber-18 for the parameterization of ligand-enzyme complex through tleap. I have used pdb files to generate mol2 and then libraries in tleap.I have edited mol2 file according to pdb (replaced UNK with ligand names)Still I get this error:Failed to generate parameters
> Parameter file was not saved.Protein and ligand files are attached here with.Please advice!
> Thanks,Hira
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Received on Tue Jun 18 2019 - 09:30:04 PDT
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