[AMBER] Fw: parameterization of ligand+protein complex

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From: Hira Jabeen <hira_bioinfo.yahoo.com>
Date: Tue, 18 Jun 2019 10:27:53 +0000 (UTC)

----- 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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text/plain attachment: 5uj4.pdb

text/plain attachment: gol.mol2

text/plain attachment: sfr.mol2

Received on Tue Jun 18 2019 - 03:30:02 PDT