[gmx-users] installation

Rossella Noschese noschese.rossella at gmail.com
Wed Nov 24 16:38:18 CET 2010


it was g_luck!!!....it changed...ok, now it seems it wors!
Thanks

2010/11/24 Rossella Noschese <noschese.rossella at gmail.com>

> ok, but when I type luck it says command not found, where's my mistake?
>
> 2010/11/24 Justin A. Lemkul <jalemkul at vt.edu>
>
> Quoting Rossella Noschese <noschese.rossella at gmail.com>:
>>
>> > Hi all, I'm trying to install gromacs.4.5.3 on fedora 13.
>> > I followed the instruction on the website, I completed my make install
>> and
>> > this was the output:
>> >   GROMACS is installed under /usr/local/gromacs.
>> > Make sure to update your PATH and MANPATH to find the
>> > programs and unix manual pages, and possibly LD_LIBRARY_PATH
>> > or /etc/ld.so.conf if you are using dynamic libraries.
>> >
>> > Please run "make tests" now to verify your installation.
>> >
>> > If you want links to the executables in /usr/local/bin,
>> > you can issue "make links" now.
>> >
>> > Since I understood I could set my environment later, I directly complete
>> my
>> > make links.
>> > Then I added in my .bashrc the line:
>> > source /usr/local/gromacs/bin/GMXRC.bash
>> >
>> > and it was added to mi $PATH and also my $MANPATH seems to be right
>> > (/usr/local/gromacs/share/man:)
>> >
>> > When I type GMXRC in the shell it comes:
>> > [Rossella at topolone ~]$ GMXRC
>> > /usr/local/gromacs/bin/GMXRC: line 35: return: can only `return' from a
>> > function or sourced script
>> > /usr/local/gromacs/bin/GMXRC: line 44: 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 ""'
>> >
>> > Is there anyone that could help me?
>> >
>>
>> You don't run GMXRC directly, you have to "source GMXRC," but since you've
>> already done that in your .bashrc, there's no need to do it again.
>>
>> -Justin
>>
>> ========================================
>>
>> Justin A. Lemkul
>> Ph.D. Candidate
>> ICTAS Doctoral Scholar
>> MILES-IGERT Trainee
>> 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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>
>
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