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
> > > > _______________________________________________
> > > > AMBER mailing list
> > > > AMBER.ambermd.org
> > > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > > _______________________________________________
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> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> >
> >
> >
> > --
> > Regards,
> > THChew
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
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Received on Wed Jun 08 2011 - 00:00:03 PDT
