On Sat, May 7, 2011 at 6:01 AM, souvik sur <souviksur.hotmail.com> wrote:
>
> Dear sir,
> Thank you for your kind concern,I was trying with the following commands
> for running antechamber in my system,after
> downloading AmberTools-1.5:
>
> $ tar jxvf ~/Download/AmberTools-1.5.tar.bz2 -C /opt$ ./configure
> -macAccelerate gn
> $ make
> $ cd ../test
> $ cd ../src
>
> $ make clean
>
> after the command "clean" there showed no error and also it was passed the
> "test" command showing no error.After doing all the things, then I tried to
> run "sustiva" for antechamber but then it showed:
>
> [root.localhost ~/souvik]# $AMBERHOME/exe/antechamber -i sustiva.pdb -fi
> pdb -o sustiva.prepin -fo prepi -c bcc
>
Running common programs as root is never a good idea, and you are just
asking for trouble.
> -s 2
> 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 old. We do not support it anymore. You have to upgrade to
AmberTools 1.5, as you've been told several times so far (I believe you've
also been told *where* to download it).
> Can I able to understand my problem now?
>
I think the problem is that you haven't listened to the advice you've
received by other people responding to your numerous emails, and it doesn't
appear as though you actually tried more than 1 thing to see if that works.
Also look at the amber archives for good advice from past posts.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sat May 07 2011 - 03:30:03 PDT
