[gmx-users] installing Gromacs on windows using cygwin

Vytautas Rakeviius vytautas1987 at yahoo.com
Mon Apr 23 14:23:54 CEST 2018


If you use bash just add source /usr/local/gromacs/bin/GMXRC to ~/.bashrc file as separate line, like:
echo "source /usr/local/gromacs/bin/GMXRC" >> ~/.bashrc
or just use your favorite text editor.
 

    On Monday, April 23, 2018, 1:57:02 PM GMT+3, Hossein Geraili <geraili.hsn at gmail.com> wrote:  
 
 Hi,

could you please help me with the search!!!

source /usr/local/gromacs/bin/GMXRC

You may wish to arrange for your login scripts to do this automatically;
please search the web for instructions on how to do this for your shell.

How can I do that command automatically??

Best



‌
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On Sat, Apr 21, 2018 at 4:52 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Follow
> http://manual.gromacs.org/documentation/current/install-
> guide/index.html#getting-access-to-gromacs-after-installation
> which instructs you to do the same thing you must have done last time. That
> has to be done from each shell, or set up to be true for all shells.
>
> Mark
>
> On Sat, Apr 21, 2018, 13:28 Hossein Geraili <geraili.hsn at gmail.com> wrote:
>
> > Hi all,
> > I am using Linux, and I followed the installation guide in the Gromacs
> page
> > exactly, and it seems everything was successful for installation of
> Gromacs
> > 2018.1. I also at the end typed "gmx pdb2gmx" and it seems that gromacs
> was
> > installed in all the computer while using that terminal, but when I close
> > the terminal and open a new one with typing the same command it gives the
> > following error:
> > The program 'gmx' is currently not installed. You can install it by
> typing:
> > sudo apt install gromacs
> > what is the problem??
> >
> >
> >
> >
> >
> >
> > ‌
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> > Sender
> > notified by
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> > >
> >
> > On Thu, Apr 19, 2018 at 9:42 PM, Mark Abraham <mark.j.abraham at gmail.com>
> > wrote:
> >
> > > Hi,
> > >
> > > Surely cygwin has its own cmake package, which you should use rather
> than
> > > compile it yourself.
> > >
> > > Mark
> > >
> > > On Thu, Apr 19, 2018, 18:02 Hossein Geraili <geraili.hsn at gmail.com>
> > wrote:
> > >
> > > > Hi all,
> > > > I want to install Gromacs on windows 10, and I get the error while
> > > > installing Cmake with cygwin. I tried two different version and the
> > error
> > > > is the same.
> > > >
> > > > gmake: *** No rule to make target '/cygdrive/h/Ph.D/Gromacs/
> > > > Software/cmake-3.10.3/Source/cmAddCustomCommandCommand.cxx', needed
> by
> > > > 'cmAddCustomCommandCommand.o'.  Stop.
> > > > ---------------------------------------------
> > > > Error when bootstrapping CMake:
> > > > Problem while running gmake
> > > >
> > > > any comment would be appreciated.
> > > > Best
> > > >
> > > >
> > > > --
> > > > Hosein Geraili Daronkola
> > > > M.Sc.Graduated of physical chemistry
> > > > Physical Chemistry,
> > > > Department of Chemistry,
> > > > The Sharif University of Technology.
> > > > geraili_hosein at alum.sharif.edu
> > > > ‌
> > > > [image: Mailtrack]
> > > > <
> > > >
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> > > signaturevirality4&
> > > > >
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> > > > notified by
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> > > >
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> > > > >
> > > > --
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> >
> >
> > --
> > Hosein Geraili Daronkola
> > M.Sc.Graduated of physical chemistry
> > Physical Chemistry,
> > Department of Chemistry,
> > The Sharif University of Technology.
> > geraili_hosein at alum.sharif.edu
> > --
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-- 
Hosein Geraili Daronkola
M.Sc.Graduated of physical chemistry
Physical Chemistry,
Department of Chemistry,
The Sharif University of Technology.
geraili_hosein at alum.sharif.edu
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