[gmx-users] installation

Erik Marklund erikm at xray.bmc.uu.se
Wed Feb 13 09:50:51 CET 2013


It shouldn't generate output. It will make your system find your  
gromacs installation, however. Try e.g. "which mdrun".

Erik

On Feb 13, 2013, at 5:06 AM, David Sáez wrote:

> Thanks for your answer Justin. I followed your advice:
> When I type
> *$ source /usr/local/gromacs/bin/GMXRC*
> *$*
>
> Nothing happened, the prompt returns normally and no action is  
> executed. Do
> you have any idea?
>
>
> On Tue, Feb 12, 2013 at 11:27 PM, Justin Lemkul <jalemkul at vt.edu>  
> wrote:
>
>>
>>
>> On 2/12/13 9:24 PM, David Sáez wrote:
>>
>>> Hello everybody, I'm trying to install Gromacs 4.6 in my Ubuntu  
>>> 12.04
>>> laptop. As I am not a a skilled user, I tried the Quick and Dirty
>>> Installation, After following the instructions I obtained this  
>>> message
>>> when
>>> trying to execute GMXRC:
>>>
>>> david at HAL-9000:~$ /usr/local/gromacs/bin/GMXRC
>>> /usr/local/gromacs/bin/GMXRC: line 34: return: can only `return'  
>>> from a
>>> function or sourced script
>>> /usr/local/gromacs/bin/GMXRC: line 43: CSH:: command not found
>>> /usr/local/gromacs/bin/GMXRC.**csh: line 8: syntax error near  
>>> unexpected
>>> token `setenv'
>>> /usr/local/gromacs/bin/GMXRC.**csh: line 8: `if (! $? 
>>> LD_LIBRARY_PATH)
>>> setenv
>>> LD_LIBRARY_PATH ""'
>>>
>>> Could someone give some help?
>>>
>>>
>> Note the first error - you need to source the file.
>>
>> $ source /usr/local/gromacs/bin/GMXRC
>>
>> -Justin
>>
>> --
>> ==============================**==========
>>
>> Justin A. Lemkul, Ph.D.
>> Research Scientist
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu | (540) 231-9080
>> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin 
>> >
>>
>> ==============================**==========
>> --
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>
>
>
> -- 
> David A. Sáez San Martín
> Químico-Farmacéutico
> Concepción, Chile
> --
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