What happens if you just type
$AMBERHOME/bin/xleap -f leaprc.ff99SB
Instead?
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
On Feb 2, 2012, at 11:05 AM, vladanstefanovic.kg.ac.rs wrote:
> ---------------------------- Original Message ----------------------------
> Subject: Problems with ff99SB force field reading
> From: vladanstefanovic.kg.ac.rs
> Date: Thu, February 2, 2012 3:59 pm
> To: amber.ambermd.org
> --------------------------------------------------------------------------
>
> Hello,
>
> I am beginner in amber;
> I have installed amber11 in unix ubuntu operating system and now I`m
> having some problems with loading ff99SB force field file in xleap;
> I follow instructions in tutorial from ambermd.org: tutorial1- 2.1.2)
> Loading the structure into Leap, and every time when I type
> $AMBERHOME/exe/xleap -s -f $AMBERHOME/dat/leap/cmd/leaprc.ff99SB in ubuntu
> dolphin konsole, it displays:
>
> -I: Adding /usr/local/amber11/dat/leap/prep to search path.
> -I: Adding /usr/local/amber11/dat/leap/lib to search path.
> -I: Adding /usr/local/amber11/dat/leap/parm to search path.
> -I: Adding /usr/local/amber11/dat/leap/cmd to search path.
> -s: Ignoring startup file: leaprc
> -f: Source /usr/local/amber11/dat/leap/cmd/leaprc.ff99SB.
>
> Segmentation fault
>
> and after that nothing happens;
>
> If anyone knows why this is happening please contact me;
>
> Vlada.
>
>
>
>
>
>
>
>
>
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Received on Thu Feb 02 2012 - 09:00:02 PST