[gmx-users] Installation of gromacs 4.0.5 on a Mac

[Gunnar Widtfeldt]

I couldn't  find the shell configuration file so I created a file  
called .tschrc in my home folder with the line "source /usr/local/ 
gromacs/bin/GMXRC
That didn't do it. Again I am new to unix commands.


On Jul 13, 2009, at 10:24 PM, Justin A. Lemkul wrote:

>
>
> Gunnar Widtfeldt wrote:
>> HI.
>> I have compiled and installed gromacs 4.0.5 on  a mac running 10.5.  
>> I have also installed fftw-3.2.1 gsl-1.11 openmotif-2.3.1 and  
>> openmpi-1.2.8
>> Now, I think everything went fine with the installation (I didn't  
>> spot any terrible warning or errors) but since I'm new to unix  
>> commands I'm having trouble running gromacs. I tried calling "luck"  
>> but get "command not found".
>> What do I have to do. I have searched the web and not found  
>> anything usefull.
>
> Probably because the executables are not within your PATH.  See here:
>
> http://oldwiki.gromacs.org/index.php/installation#Getting_access_to_GROMACS_after_installation
>
> -Justin
>
>> With thanks.
>> -------------------------------------------
>> Gunnar Widtfeldt Reginsson
>> Sigurdsson Group
>> Science Institute
>> University of Iceland
>> Dunhaga 3
>> 107 Reykjavik
>> Iceland
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>
> -- 
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
> ========================================
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-------------------------------------------
Gunnar Widtfeldt Reginsson
Sigurdsson Group
Science Institute
University of Iceland
Dunhaga 3
107 Reykjavik
Iceland