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
Received on Mon May 02 2011 - 03:30:02 PDT
