Hello,
On Thu, Apr 28, 2011 at 4:47 AM, setyanto md <stwahyudi.md.gmail.com> wrote:
> Dear Martin,
>
> I configured AmberTools using : ./configure gnu
>
> I am inspired by your question about AMBERHOME environment, since I have
> amber10, so my AMBERHOME environment is
> : export AMBERHOME=/usr/local/amber10. When unpack AmberTools 1.5 it was
> create amber11 folder. I think this is my problem. I forgot to move
> AmberTools folder from /usr/local/amber11 to /usr/local/amber10.
>
In general, you should NOT do this. Keep AmberTools 1.5 in its own
directory, and set AMBERHOME to /usr/local/amber11, since only AmberTools
programs make use of AMBERHOME.
You should also add /usr/local/amber11/bin to your PATH so that you can find
both Amber and AmberTools programs. So in your .bashrc you should have
something like
export AMBERHOME=/usr/local/amber11
export PATH=$PATH\:$AMBERHOME/bin\:/usr/local/amber10/bin
Keep in mind that it's important to have the AMBERHOME/bin come before
/usr/local/amber10/bin in your PATH, since that way your shell will find the
AmberTools binaries from /usr/local/amber11/bin before the ones from
amber10.
HTH,
Jason
>
> I just re-install, and now I am move AmberTools folder from
> /usr/local/amber11 to /usr/local/amber10 (first I just rename previously
> AmberTools folder in /usr/local/amber10 with other name "AmberTools-10").
>
> After re-installation, in my linux terminal i was check MCPB by typing >
> MCPB. and great !!!, it showed the Message about MCPB.
>
> Thanks Martin to remind me about AMBERHOME environment.
>
> regards,
>
> setyanto
>
>
> On Wed, Apr 27, 2011 at 2:13 PM, Martin Peters <martin.b.peters.me.com
> >wrote:
>
> > Hi Setyanto,
> >
> > How did you configure AmberTools? Can you send us the command you used?
> >
> > Did you receive any error messages during the compilation?
> >
> > Do you have the environment variable 'AMBERHOME' set up correctly? What
> > programs are installed in the bin directory?
> >
> > Regards,
> >
> > Martin.
> >
> > On 27 Apr 2011, at 07:28, setyanto md wrote:
> >
> > > Dear Amber User and Developer,
> > >
> > > I just install AmberTools 1.5, but I am using Amber 10.
> > > I'll try to find MCPB by using commad : MCPB in my terminal. But
> > > unfortunately there no commands for MCPB.
> > >
> > > Is this because I am using Amber 10 or MTK++ cannot be installed ?
> > >
> > > Thank you very much.
> > >
> > > regards
> > >
> > > setyanto
> > >
> > > Lab Biokimia Komputasi ITB
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> >
> >
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Apr 28 2011 - 06:00:03 PDT
