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

[Justin A. Lemkul]

Gunnar Widtfeldt wrote:
> 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

Right, because you need to add it - the location of Gromacs is not a standard 
location.  If you're on a Mac running 10.5, your default shell is bash, so you 
should have either a .bashrc or a .bash_profile in your home directory; that's 
where you need to add this line.  Or, simply type it every time you open a new 
terminal...but that's annoying :)

-Justin

> 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
> 
> 
> 
> 
> 
> 
> 

-- 
========================================

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

========================================