Re: [AMBER] Docking with Dock6

From: Aldo Segura <asegurac666.yahoo.com.mx>
Date: Thu, 4 Dec 2014 18:14:22 +0000 (UTC)

Hi,
I think you are using dock6 for docking not Amber. According to your message it seems that you didn't properly set up the path to "flex_drive.tbl" into your input file. It should be something like: /your_dock6_path/parameters/flex_drive.tbl
 
Best,
Aldo =======================================
Aldo Segura-Cabrera
Postdoctoral Fellow
Division of Experimental Hematology and Cancer BiologyCancer and Blood Diseases Institute
Cincinnati Children's Hospital Medical Center
3333 Burnet Ave, MLC 7013, Cincinnati OH 45229
=========================================
      De: "Wong, Sook (NIH/NCATS) [V]" <sook.wong.nih.gov>
 Para: "amber.ambermd.org" <amber.ambermd.org>
 Enviado: Jueves, 4 de diciembre, 2014 12:28:28
 Asunto: [AMBER] Docking with Dock6
   
Hi all,

I am trying to dock ligand onto receptor with Dock6 using Amber14 but encounter the following:
ERROR get_flex_search: Positions field doesn't follow Id in ../00.files/flex_drive.tbl

Any idea what is this about? Is it an issue related to initial ligand.mol2?

Appreciate your advice.
-Sook Wong
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Received on Thu Dec 04 2014 - 10:30:02 PST
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