[gmx-users] ff library confusion

[David van der Spoel]

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
>>>
>>>
>>> 	
>>>
>>> 	
>>> 		
>>>
> __________________________________________________________
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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
>>
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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> 
> 
> 
> 	
> 
> 	
> 		
> __________________________________________________________ 
> 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.
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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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++