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 - 09:30:03 PDT
