Re: [AMBER] amber7 vs xleap on 64bit machine

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 8 Sep 2010 09:24:47 -0400

That's not what I had said to do. Keep the amber7 and amber11 directories
completely separate. Compile amber11 (AmberTools 1.4) in /usr/local/amber11
if you wish, then set AMBERHOME to /usr/local/amber11 and make sure PATH is
$AMBERHOME/bin\:/usr/local/amber7/exe\:$PATH.

Also, set path = ( $path $AMBERHOME/exe ) won't work, because you need to
set it as an environment variable. Also, PATH is all uppercase, and many
unices are case-sensitive so you have to make sure they're all uppercase.
Furthermore, PATH should be colon-delimited, not space-delimited I believe.
Google how to set up environment variables with whatever shell you're using
and follow those instructions for PATH and AMBERHOME.

Lastly, "it didn't work" is not helpful when it comes to debugging
problems. You need to provide exact commands that you executed and the
error messages/results of the unsuccessful commands for us to be helpful.

Good luck!
Jason

On Wed, Sep 8, 2010 at 9:06 AM, Rossella Noschese <
noschese.rossella.gmail.com> wrote:

> thanks for your help,
> this is what i did:
> My echo $AMBERHOME is : /usr/local/bin/amber7
> so I copied amber11 directory in /amber7
> then I typed
> set path = ( $path $AMBERHOME/exe )
> set path = ( $path $AMBERHOME/amber11/bin )
> but il still doesn't work.... What's wrong with that?
>
>
> 2010/9/8, Jason Swails <jason.swails.gmail.com>:
> >
> > Hello,
> >
> > Leap has undergone many fixes since 64-bit computing has become
> > commonplace. You should download the new AmberTools 1.4 from
> > ambermd.organd compile it. All you have to do is build AmberTools 1.4
> > in its own
> > directory (it automatically unpacks into amber11), and set that directory
> > to
> > AMBERHOME. Then, just make sure that both amber7/exe and amber11/bin are
> > in
> > your PATH and you can use both sets of executables.
> >
> > Good luck!
> > Jason
> >
> >
> > On Wed, Sep 8, 2010 at 5:48 AM, Rossella Noschese <
> > noschese.rossella.gmail.com> wrote:
> >
> > > Hi,
> > >
> > > I have some problems with running xleap graphical window. We have
> Amber7
> > on
> > > a 64 bit machine (Fedora core). When I try to type the "edit" command
> to
> > > start the Unit Editor (both with pdb file loaded and with new object)
> it
> > > shows this error message :
> > > "segmentation falut (core dumped)"
> > >
> > > and the Universe Editor crashes.
> > > I read I should try downloadin AmberTool from the amber site, but how
> can
> > I
> > > connect AmberTool with Amber7?
> > > Please help me!!
> > > Thanks in advance!!
> >
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> >
> >
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Graduate Student
> > 352-392-4032
> > _______________________________________________
> > 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
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 08 2010 - 06:30:04 PDT
Custom Search