On Thu, Feb 02, 2012, vladanstefanovic.kg.ac.rs wrote:
> $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
Can you say what version of AmberTools you have? (That is, *how* did you
"install amber11"?)
I think we've seen this problem before:
http://archive.ambermd.org/201107/0081.html
It arises from the combination of 64-bit OS with AmberTools-1.2. You could
test my hypothesis by trying to run tleap instead of xleap: if it's the error
I'm thinking of, this should also seg fault.
I think the only known solution is to upgrade to AmberTools1.5. See
http://ambermd.org/HowToCompileAmberTools1.5AndAMBER11WithUbuntu10.04.3LTS.html
for detailed comments on how to combine AmberTools 1.5 and the rest of
Amber11.
....dac
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Received on Thu Feb 02 2012 - 11:00:02 PST
