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On Mon, May 2, 2011 at 12:56 PM, souvik sur <souviksur.hotmail.com> wrote:
>
> send me the website from where I can download Amber tools 1.5 tar file for
> my system.
>
> regards,
> Souvik Sur
> Ph. D. Student
> Department Of Chemistry
> University Of Delhi
> India
>
>
>
>
> > Date: Mon, 2 May 2011 12:02:57 +0200
> > From: jason.swails.gmail.com
> > To: amber.ambermd.org
> > Subject: Re: [AMBER] Antechamber Problem
> >
> > On Mon, May 2, 2011 at 10:59 AM, souvik sur <souviksur.hotmail.com>
> wrote:
> >
> > >
> > > dear sir,
> > > thank you for your concern.
> > >
> >
> > First some basic linux advice:
> >
> >
> > >
> > > it shows like this:
> > > [root.localhost ~]# $AMBERHOME/exe/antechamber -i sustiva.pdb -fi pdb
> -o
> > > sustiva.prepin -fo prepi -c bcc -s 2
> > >
> >
> > Never run any AMBER program (or any other program of the same class) as
> > root. It'll set you up for a world of hurt.
> >
> >
> > > Running: /usr/local/amber9/exe/bondtype -i ANTECHAMBER_BOND_TYPE.AC0 -o
> > > ANTECHAMBER_BOND_TYPE.AC -f ac -j full
> > >
> > >
> > > Running: /usr/local/amber9/exe/atomtype -i ANTECHAMBER_AC.AC0 -o
> > > ANTECHAMBER_AC.AC -p gaff
> > >
> > > Total number of electrons: 160; net charge: 0
> > >
> > > Running: $AMBERHOME/exe/divcon
> > > forrtl: severe (174): SIGSEGV, segmentation fault occurred
> > > Image PC Routine Line Source
> > > divcon 08336186 Unknown Unknown Unknown
> > > divcon 081F4BE0 Unknown Unknown Unknown
> > > divcon 081BE548 Unknown Unknown Unknown
> > > Error: cannot run "$AMBERHOME/exe/divcon" of bcc() in charge.c
> properly,
> > > exit
> > >
> >
> > Divcon is very old and is not supported or even released with Amber
> > anymore. Download and install AmberTools 1.5 and run antechamber with
> that
> > version.
> >
> > Alternatively, look at the manual for how to use mopac for the quantum
> > calculations instead of divcon. If that doesn't work, your only
> alternative
> > really is to use AmberTools 1.5.
> >
> > HTH,
> > Jason
> >
> > --
> > Jason M. Swails
> > Quantum Theory Project,
> > University of Florida
> > Ph.D. Candidate
> > 352-392-4032
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
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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 Mon May 02 2011 - 04:30:02 PDT
