[gmx-users] ff library confusion

Afshin Nasrabad anasrabad at yahoo.ca
Thu Feb 9 17:51:23 CET 2006


 Hi,

the GMXLIB shows the library installed by superuser.
I even changed it to the right path on my home but
id didn't work.

I added a prefix (my_) to all executables of program.

afshin


--- David van der Spoel <spoel at xray.bmc.uu.se> wrote:

> Afshin Nasrabad wrote:
> > Hi again,
> > 
> > I did it (source GMXRC) but it still doesn't
> > work. Every time it loads the older ff library.
> The
> > env command shows that the variables changed but
> the
> > problem still there.
> Is the GMXLIB variable pointing to the right
> directory?
> 
> Did you add the prefix in the gromacs configure
> command?
> 
> > 
> > afshin
> > 
> > 
> > --- David van der Spoel <spoel at xray.bmc.uu.se>
> wrote:
> > 
> >> Afshin Nasrabad wrote:
> >>>  Hi everybody,
> >>>
> >>> I'm a new user of Gromacs. I installed the
> latest
> >>> version of program in my home directory in a
> >> cluster.
> >>> As the older version of program already instlled
> >> on
> >>> cluster by administrator, I put a prefix (my_)
> to
> >> all
> >>> binary files of program while compilation.
> >> Evrything
> >>> is 
> >>> fine unless when I run my_pdb2gmx command, the
> >> program
> >>> looks for the older forcefield library installed
> >> by
> >>> administartor. Is there any way to define the
> new
> >> path
> >>> for forcefield in my home directory where I
> >> installed
> >>> the new version?
> >>>   
> >> source the GMXRC file in your bin dir.
> >>
> >>> thanks,
> >>> afshin
> >>>
> >>>
> >>> 	
> >>>
> >>> 	
> >>> 		
> >>>
> >
>
__________________________________________________________
> >>> Find your next car at http://autos.yahoo.ca
> >>> _______________________________________________
> >>> gmx-users mailing list    gmx-users at gromacs.org
> >>>
> http://www.gromacs.org/mailman/listinfo/gmx-users
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> >> list. Use the 
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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://folding.bmc.uu.se
> >>
> >
>
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> >> _______________________________________________
> >> gmx-users mailing list    gmx-users at gromacs.org
> >> http://www.gromacs.org/mailman/listinfo/gmx-users
> >> Please don't post (un)subscribe requests to the
> >> list. Use the 
> >> www interface or send it to
> >> gmx-users-request at gromacs.org.
> >> Can't post? Read
> >> http://www.gromacs.org/mailing_lists/users.php
> >>
> > 
> > 
> > 
> > 	
> > 
> > 	
> > 		
> >
>
__________________________________________________________
> 
> > Find your next car at http://autos.yahoo.ca
> > _______________________________________________
> > gmx-users mailing list    gmx-users at gromacs.org
> > http://www.gromacs.org/mailman/listinfo/gmx-users
> > Please don't post (un)subscribe requests to the
> list. Use the 
> > www interface or send it to
> gmx-users-request at gromacs.org.
> > Can't post? Read
> http://www.gromacs.org/mailing_lists/users.php
> 
> 
> -- 
> 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://folding.bmc.uu.se
>
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the
> list. Use the 
> www interface or send it to
> gmx-users-request at gromacs.org.
> Can't post? Read
> http://www.gromacs.org/mailing_lists/users.php
> 



	

	
		
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