[Dock-fans] RE: A Problem Reading grid.nrg and grid.bmp (Ben Keshet)

Demetri Moustakas moustakas at gmail.com
Wed May 30 12:01:10 PDT 2007


Hi Ben,

You need to only specify the grid prefix to DOCK.  Instead of specifying
grid.nrg as the grid file name to DOCK, just provide grid as the name, and
dock will append the .nrg extension as required.

Cheers,
Demetri


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Today's Topics:

   1. A Problem Reading grid.nrg and grid.bmp (Ben Keshet)


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Message: 1
Date: Tue, 29 May 2007 22:46:09 -0400
From: "Ben Keshet" <keshet1 at umbc.edu>
Subject: [Dock-fans] A Problem Reading grid.nrg and grid.bmp
To: <dock-fans at docking.org>
Message-ID: <001d01c7a264$ad89b160$29ad5582 at umbc80a173302c>
Content-Type: text/plain; charset="us-ascii"

Hi Dock-fans,

 

I followed the tutorials for docking (using different molecules) and the
files grid.bmp and grid.nrg seemed to be created properly. However, when I
used ./dock6, after the anchor_and_grow.in file was read successfully, I am
getting the following:

 

Initializing Library file Routines...

Initializing Orienting Routines...

Initializing Conformer Generation Routines...

Initializing Bump Filter Routines...

 

Could no open grid.in.bmp for reading. Program will terminate. 

 

I changed the grid.bmp file name to grid.in.bmp, the error message
disappeared, but I got a similar one saying: 

 

Could no open grid.nrg.nrg for reading. Program will terminate. 

 

After I changed this file name as well, I got the following error:

 

Could not open grid.nrg.bmp for reading. program will terminate.

 

Does anyone know what is wrong? Does it seem like an installation problem? 

 

Thank you,

Ben

 

 

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