[gmx-developers] fatal error in g_chi

Mark Abraham mark.abraham at anu.edu.au
Tue Sep 21 10:56:19 CEST 2010

----- Original Message -----
From: Carlo Camilloni <carlo.camilloni at gmail.com>
Date: Tuesday, September 21, 2010 18:45
Subject: [gmx-developers] fatal error in g_chi
To: gmx-developers at gromacs.org


> Dear Gromacs Developers, 
> while using the g_chi tool in gromacs 4.5.1 I got
> this error:
> Fatal error:
> Library file in current dir nor  not found aminoacids.datin your GMXLIB path.
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> other tools, I tested grompp, pdb2gmx, editconf, genbox and g_gyrate, work fine, and my GMXLIB variable
> points to the /wheregromacsis/share/gromacs/top dir of gromacs.

Yes, g_chi is buggy because when GROMACS shifted to the use of residuetypes.dat, this tool was not updated. I do have half a fix lying around, and will see what its status is tomorrow.


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