[gmx-users] g_gyrate

[David van der Spoel]

On Thu, 2005-03-31 at 15:24 -0800, Nancy Deng wrote:
> Dear All,
>  
> I have done 2ns MD with gmx_FF and was trying to calculate the radius
> of gyration of the entire protein by: g_gyrate -s 2ns.tpr -f 2ns.trr -
> o 2ns.xvg
>  
> The program stopped at 560ps with the "fatal error: Can not determine
> precision of trn file, quit!"
>  
> Does any one please have any idear what really happend here??? what's
> the trn file?
the trr file I assume. Is the file larger than 2 Gb ? Then look for 2 Gb
patches in the mailing list archives.
>  
> Thanks,
>  
> nancy
> 
> 
>         ----- Original Message ----- 
>         From: narender maan 
>         To: gmx-users at gromacs.org 
>         Sent: Thursday, March 24, 2005 10:54 AM
>         Subject: [gmx-users] g_anaeig
>         
>         
>         Dear gmx-users
>         I am doing ED of my simulation and while using g_anaeig the
>         file (eigrmsf.xvg) i am getting for rmsf (by using -rmsf
>         option) is for all the atoms in the protein. So i was
>         wondering if there's anyway to calculate averages for each
>         residue in eigrmsf.xvg instead of atoms (like the way it is in
>         g_rmsf by using the option of -res)  
>         thank you
>         NSM
>         
>         
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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