Em 24/02/2016 07:13, "Mahdieh Hadi" <mahdieh.hadi.bric.ku.dk> escreveu:
> echo "source $AMBERHOME/amber.sh" >> ~/.bashrc # Add Amber to your
environment
>
> and whenever I restart, shutdown, etc,
> I should use
> Export AMBERHOME= /Users/Amber14
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
You don't need this last line. When you did the "echo source...." Command,
you already made this happen automatically every time you start a new shell.
Gustavo.
________________________________________
> From: Daniel Roe [daniel.r.roe.gmail.com]
> Sent: Tuesday, February 23, 2016 6:05 PM
> To: AMBER Mailing List
> Subject: Re: [AMBER] No exe file in Amberhome
>
> Hi,
>
> On Tue, Feb 23, 2016 at 9:44 AM, Marcelo Andrade Chagas
> <andrade.mchagas.gmail.com> wrote:
> > PATH = $ PATH: $ HOME / PROGRAMS / amber14 / bin :.
> >
> > export PATH
> > # Setting PATH
> > export AMBER14 AMBERHOME = "/ home / Marcelo / PROGRAMS / amber14"
> >
> > export LD_LIBRARY_PATH = "$ {AMBERHOME} / lib"
> >
> > export LD_LIBRARY_PATH = "$ {LD_LIBRARY_PATH}: $ {AMBERHOME} / lib"
>
> You are trying to setup your environment manually, which you really
> shouldn't need to do after sourcing 'amber.sh'. In fact it seems that
> you overwriting your LD_LIBRARY_PATH so that it only contains
> '$AMBERHOME/lib', which will probably break how things work on your
> system (I'm assuming you don't really have those spaces in there since
> bash would complain otherwise). Just sourcing 'amber.sh' should be
> enough to get Amber to work properly.
>
> -Dan
>
> >
> > Best regards
> >
> > Marcelo
> >
> >
> > Marcelo Andrade Chagas, MSc
> > (PhD student)
> > Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
> > * http://lqcmm.qui.ufmg.br/
> > Departamento de Química da Universidade Federal de Minas Gerais - UFMG
> > Tel:(31)3409-5776
> >
> > 2016-02-23 10:25 GMT-03:00 Mahdieh Hadi <mahdieh.hadi.bric.ku.dk>:
> >
> >> Hi again,
> >> I have run the following code to test the amber installation,
> >>
> >> Cd Users
> >> tar xvfj AmberTools15.tar.bz2 # (Note: extracts in an # “amber14”
> >> directory)
> >> export AMBERHOME=/Users/amber14 # (for bash, zsh, ksh, etc.)
> >> cd $AMBERHOME
> >> ./configure –help
> >> ./configure gnu
> >> source /users/amber14/amber.sh # for bash, zsh, ksh, etc.
> >> make install
> >> make test
> >>
> >> and it seems that there are no errors!
> >> The final sentences of the test code are as follows:
> >>
> >>
> >> Installation of AmberTools14 serial is complete at Tue Feb 23 14:23:54
CET
> >> 2016.
> >>
> >> ==============================================================
> >> /Users/amber14/src/Makefile not found, or -noamber was set.
> >> This is expected if you do not have Amber14.
> >> ==============================================================
> >> MHA:amber14 mha$ make test
> >>
> >> I don't know what could be the reason behind the past mentioned error
:(
> >>
> >>
> >> ________________________________________
> >> From: David A Case [david.case.rutgers.edu]
> >> Sent: Tuesday, February 23, 2016 1:52 PM
> >> To: AMBER Mailing List
> >> Subject: Re: [AMBER] No exe file in Amberhome
> >>
> >> On Tue, Feb 23, 2016, Mahdieh Hadi wrote:
> >> >
> >> > dyld: Library not loaded: /Users/mha/amber14/lib/libfftw3.3.dylib
> >> > Referenced from: /Users/amber14/./a.out
> >> > Reason: image not found
> >> > Trace/BPT trap: 5
> >>
> >> This looks like a problem with the AmberTools installation. I'd
suggest
> >> that
> >> you re-configure and compile, and look carefully for errors related to
> >> fftw3.
> >>
> >> Also, be sure to run the test cases: given the problem above, it seems
> >> likely
> >> that all the nab-based test cases will fail. It makes a big
difference in
> >> the
> >> sorts of advice we give if we know whether you have a working
AmberTools
> >> installation or not.
> >>
> >> ....good luck....dac
> >>
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 307
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
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>
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Received on Wed Feb 24 2016 - 04:00:06 PST
