[gmx-developers] fatal error in g_chi

[Mark Abraham]

Hi,

I've fixed g_chi in release-4-5-patches per discussion. The fix is not a simple patch, so before 4.5.2, I encourage people to access the git repository and use g_chi from a build done from that.

Mark

----- Original Message -----
From: Berk Hess <hess at cbr.su.se>
Date: Tuesday, September 21, 2010 19:10
Subject: Re: [gmx-developers] fatal error in g_chi
To: gmx-developers at gromacs.org

 
     -----------------------------------------------------------
| 

>  Hi,
 > 
>  I filed a bugzilla, so we don't forget to fix this for 4.5.2.
>  Since Mark mentioned he has a fix, I assigned it to him.
 > 
>  Berk
 > 
>  On 09/21/2010 10:56 AM, Mark Abraham wrote: 

   > 
>  ----- 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
   > 
      
   
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                     |          
> >         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.
   > 
>  Mark  
  |
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