[gmx-users] gromacs installation

roshanak starlight starlight.r77 at gmail.com
Mon Jul 4 21:16:40 CEST 2016


but my folder which contains downloaded  gromacs-5.1 and cmake and fftw are
within other address

On Mon, Jul 4, 2016 at 11:32 PM, roshanak starlight <starlight.r77 at gmail.com
> wrote:

> when i was installing , i typed this:  'source
> /usr/local/gromacs/bin/GMXRC' after 'sudo make install' command . and then
> gmx grompp -h .and i can see GMXRC in this adress in my laptop.is
> everything right?
> but why dose not know gmx and it get this massage that program grompp is
> currently not installed ?
>
> On Mon, Jul 4, 2016 at 9:27 PM, Mark Abraham <mark.j.abraham at gmail.com>
> wrote:
>
>> Hi,
>>
>> On Mon, Jul 4, 2016 at 6:36 PM roshanak starlight <
>> starlight.r77 at gmail.com>
>> wrote:
>>
>> > Should I remove gromacs that I've installed?
>> >
>>
>> Depends which one you want to use. If you don't know, you want 5.1.2.
>>
>>
>> > i don't understand what this means : source
>> > /your/installation/prefix/here/bin/GMXRC
>> >
>>
>> GROMACS got installed somewhere. It installed a script named GMXRC that
>> can
>> teach your shell to use that version of GROMACS for as long as it runs. By
>> default, GROMACS installs to /usr/local/gromacs so you'd use
>>
>> source /usr/local/gromacs/bin/GMXRC
>>
>> to say to your shell to use that one. But if you installed somewhere else,
>> you need to adapt to refer to the right GMXRC.
>>
>> Mark
>>
>>
>> > On Mon, Jul 4, 2016 at 5:03 PM, Mark Abraham <mark.j.abraham at gmail.com>
>> > wrote:
>> >
>> > > Hi,
>> > >
>> > > You need to teach your shell which version of GROMACS you want to
>> use, or
>> > > it will do what it can from the existing environment. For example,
>> > >
>> > >
>> >
>> http://manual.gromacs.org/documentation/5.1.2/install-guide/index.html#getting-access-to-gromacs-after-installation
>> > >
>> > > Mark
>> > >
>> > > On Mon, Jul 4, 2016 at 2:05 PM roshanak starlight <
>> > starlight.r77 at gmail.com
>> > > >
>> > > wrote:
>> > >
>> > > > hello
>> > > > i try to install gromacs in my laptop with this cpu :AMD Dual-core
>> > > > processor E-350 and Linux operating system ubuntu 14.04
>> > > > i installed gromacs-5.1.2  and gromacs-5 but both of  these versions
>> > get
>> > > > error about grompp .and installation from software center
>> > (gromacs-4.5.6)
>> > > > get this error: illegal instruction core dumped .
>> > > > Who knows what's the problem?
>> > > >
>> > > > one told me that :I think you would run gmx under admin or force
>> UBUNTU
>> > > to
>> > > > set gromacs in your path
>> > > > what shuld i do?
>> > > > --
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>
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