2010/5/26 case <case.biomaps.rutgers.edu>
> ...can you try this example on Fedora 12?]
>
> ...dac
>
Here is fedora12 example
[Dima.fedora12 ~]$ tleap -f leaprc.GLYCAM_06
-I: Adding /opt/amber11/dat/leap/prep to search path.
-I: Adding /opt/amber11/dat/leap/lib to search path.
-I: Adding /opt/amber11/dat/leap/parm to search path.
-I: Adding /opt/amber11/dat/leap/cmd to search path.
-f: Source leaprc.GLYCAM_06.
Welcome to LEaP!
(no leaprc in search path)
Sourcing: /opt/amber11/dat/leap/cmd/leaprc.GLYCAM_06
Loading parameters: /opt/amber11/dat/leap/parm/Glycam_06g.dat
Reading title:
GLYCAM PARAMETERS (FOR AMBER 8.0, RESP 0.010), COPYRIGHT CCRC 2004
Loading Prep file: /opt/amber11/dat/leap/prep/GLYCAM_06.prep
Loading library: /opt/amber11/dat/leap/lib/GLYCAM_amino_06.lib
Loading library: /opt/amber11/dat/leap/lib/GLYCAM_aminoct_06.lib
Loading library: /opt/amber11/dat/leap/lib/GLYCAM_aminont_06.lib
Loading library: /opt/amber11/dat/leap/lib/solvents.lib
> x = sequence {ROH 0GB}
> desc x
UNIT name: ROH
Head atom: .R<ROH 1>.A<HO1 1>
Tail atom: .R<0GB 2>.A<C2 19>
Contents:
R<ROH 1>
R<0GB 2>
> set x head x.2.O2
> desc x
UNIT name: ROH
Head atom: .R<0GB 2>.A<O2 21>
Tail atom: .R<0GB 2>.A<C2 19>
Contents:
R<ROH 1>
R<0GB 2>
--
Sincerely,
Dmitry Mukha
Institute of Bioorganic Chemistry, NAS, Minsk, Belarus
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Received on Thu May 27 2010 - 09:00:03 PDT
