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
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Received on Mon May 02 2011 - 04:00:03 PDT
