Dear sir,
how can I export AMBERHOME variable because in every time I export it but still it was not working and what can I write in home directory's .bashrc file for exporting amberhome environment variables?
regards,
Souvik Sur
Ph. D. Student
Department Of Chemistry
University Of Delhi
India
> Date: Wed, 8 Jun 2011 14:47:29 +0800
> From: teonghan.gmail.com
> To: amber.ambermd.org
> Subject: Re: [AMBER] Loadin AMBER9 in linux
>
> Hi,
>
> Most likely you did not export the AMBERHOME environment variable. Do that
> by typing "export AMBERHOME=/path_to_your_amber_directory/" in terminal. A
> more permanent way of doing this is to write that command in your home
> directory's .bashrc file.
>
> Thanks.
>
> On Wed, Jun 8, 2011 at 2:42 PM, souvik sur <souviksur.hotmail.com> wrote:
>
> >
> > Dear sir
> > I have successfully installed AmberTools 1.5, now how can I know Amber is
> > running rightly as the xleap and tleap command are still not running and
> > show commands not found and show the following error after giving the
> > command make test.serial:
> >
> > cd leap; ./Run.tleap
> > Error - must define AMBERHOME environment variable
> > make: *** [test.leap] Error 1
> >
> >
> >
> > regards,
> > Souvik Sur
> > Ph. D. Student
> > Department Of Chemistry
> > University Of Delhi
> > India
> >
> >
> >
> >
> > > Date: Tue, 7 Jun 2011 09:11:36 -0600
> > > From: jason.swails.gmail.com
> > > To: amber.ambermd.org
> > > Subject: Re: [AMBER] Loadin AMBER9 in linux
> > >
> > > There's no need to use tleap from amber9 when you can install AmberTools
> > 1.5
> > > (in which this bug is fixed) for free.
> > >
> > > HTH,
> > > Jason
> > >
> > > On Tue, Jun 7, 2011 at 4:54 AM, TH Chew <teonghan.gmail.com> wrote:
> > >
> > > > Hi,
> > > >
> > > > I posted the same problem yesterday and Jason replied. It is most
> > likely a
> > > > bug related to 64bit OS. This morning, I manage to get it compile with
> > test
> > > > running fine on a 32bit OS. Can you post what you have in
> > test/ff94_prm.out
> > > > here?
> > > >
> > > > Thanks.
> > > >
> > > > On Tue, Jun 7, 2011 at 6:44 PM, souvik sur <souviksur.hotmail.com>
> > wrote:
> > > >
> > > > >
> > > > > Dear sir,
> > > > >
> > > > > Here is the following error in test of "leap"
> > > > >
> > > > >
> > > > >
> > > > > [root.nis test]# make test.leap
> > > > > cd leap; ./Run.tleap
> > > > >
> > > > > Running leap tests on ./tleap -> ../../exe/teLeap
> > > > >
> > > > > building force field libraries:
> > > > >
> > > > > '91 ff..
> > > > >
> > > > > diffing ../../dat/leap/lib/all_amino91.lib with all_amino91.lib
> > > > > PASSED
> > > > > ==============================================================
> > > > > diffing ../../dat/leap/lib/all_aminoct91.lib with all_aminoct91.lib
> > > > > PASSED
> > > > > hello sir,
> > > > >
> > > > > Here is the following error :
> > > > >
> > > > > ==============================================================
> > > > > diffing ../../dat/leap/lib/all_aminont91.lib with all_aminont91.lib
> > > > > PASSED
> > > > > ==============================================================
> > > > > diffing ../../dat/leap/lib/all_nucleic91.lib with all_nucleic91.lib
> > > > > PASSED
> > > > > ==============================================================
> > > > > diffing ../../dat/leap/lib/ions91.lib with ions91.lib
> > > > > PASSED
> > > > > ==============================================================
> > > > >
> > > > > '94 ff..
> > > > >
> > > > > diffing ../../dat/leap/lib/all_amino94.lib with all_amino94.lib
> > > > > PASSED
> > > > > ==============================================================
> > > > > diffing ../../dat/leap/lib/all_aminoct94.lib with all_aminoct94.lib
> > > > > PASSED
> > > > > ==============================================================
> > > > > diffing ../../dat/leap/lib/all_aminont94.lib with all_aminont94.lib
> > > > > PASSED
> > > > > ==============================================================
> > > > > diffing ../../dat/leap/lib/all_nucleic94.lib with all_nucleic94.lib
> > > > > PASSED
> > > > > ==============================================================
> > > > > diffing ../../dat/leap/lib/ions94.lib with ions94.lib
> > > > > PASSED
> > > > > ==============================================================
> > > > >
> > > > > loadpdb and saveamberparm: 94 ff..
> > > > >
> > > > > ./Run.tleap: Program error in leap
> > > > > make: *** [test.leap] Error 1
> > > > >
> > > > >
> > > > >
> > > > > regards,
> > > > > Souvik Sur
> > > > > Ph. D. Student
> > > > > Department Of Chemistry
> > > > > University Of Delhi
> > > > > India
> > > > >
> > > > >
> > > > >
> > > > >
> > > > > > Date: Tue, 7 Jun 2011 18:11:23 +0800
> > > > > > From: teonghan.gmail.com
> > > > > > To: amber.ambermd.org
> > > > > > Subject: Re: [AMBER] Loadin AMBER9 in linux
> > > > > >
> > > > > > Hi Souvik,
> > > > > >
> > > > > > I actually come across this yesterday. Did you compile in a 64bit
> > Linux
> > > > > OS?
> > > > > >
> > > > > > Thanks.
> > > > > >
> > > > > > On Tue, Jun 7, 2011 at 6:08 PM, souvik sur <souviksur.hotmail.com>
> > > > > wrote:
> > > > > >
> > > > > > >
> > > > > > >
> > > > > > > sir,
> > > > > > >
> > > > > > > Just now i have installed amber9 in linux but when i run make
> > > > > > > "test.serial",there showed an error in loading "leap":
> > > > > > > loadpdb and saveamberparm: 94 ff..
> > > > > > >
> > > > > > > ./Run.tleap: Program error in leap
> > > > > > > make: *** [test.leap] Error 1
> > > > > > >
> > > > > > >
> > > > > > > what can I do for it?
> > > > > > >
> > > > > > > regards,
> > > > > > > Souvik Sur
> > > > > > > Ph. D. Student
> > > > > > > Department Of Chemistry
> > > > > > > University Of Delhi
> > > > > > > India
> > > > > > >
> > > > > > >
> > > > > > >
> > > > > > > _______________________________________________
> > > > > > > AMBER mailing list
> > > > > > > AMBER.ambermd.org
> > > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > > > >
> > > > > >
> > > > > >
> > > > > >
> > > > > > --
> > > > > > Regards,
> > > > > > THChew
> > > > > > _______________________________________________
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> > > > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > > >
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> > > > >
> > > >
> > > >
> > > >
> > > > --
> > > > Regards,
> > > > THChew
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> > > >
> > >
> > >
> > >
> > > --
> > > Jason M. Swails
> > > Quantum Theory Project,
> > > University of Florida
> > > Ph.D. Candidate
> > > 352-392-4032
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> >
>
>
>
> --
> Regards,
> THChew
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Received on Wed Jun 08 2011 - 00:30:02 PDT
