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

[Gunnar Widtfeldt]

Thanks,
It works, I had to create the .bash_profile with the line "source /usr/ 
local/gromacs/bin/GMXRC
On Jul 13, 2009, at 10:47 PM, Justin A. Lemkul wrote:

>
>
> 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
>
> ========================================
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before  
> posting!
> 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

-------------------------------------------
Gunnar Widtfeldt Reginsson
Sigurdsson Group
Science Institute
University of Iceland
Dunhaga 3
107 Reykjavik
Iceland