Hello every one
I am again and again receiving following error..i tried but couldn’t solve
it..Please help me out..
Regards
drsiklinux1:~/amber10/exe # antechamber -i lig1.pdb -fi pdb -o lig1.mol2
-fo mol2 -c bcc -s 2
Running: /root/amber10/bin/bondtype -j full -i ANTECHAMBER_BOND_TYPE.AC0 -o
ANTECHAMBER_BOND_TYPE.AC -f ac
Running: /root/amber10/bin/atomtype -i ANTECHAMBER_AC.AC0 -o
ANTECHAMBER_AC.AC -p gaff
Total number of electrons: 178; net charge: 0
Running: /root/amber10/bin/mopac.sh
Running: /root/amber10/bin/am1bcc -i ANTECHAMBER_AM1BCC_PRE.AC -o
ANTECHAMBER_AM1BCC.AC -f ac -p /root/amber10/dat/antechamber/BCCPARM.DAT -s
2 -j 1
Running: /root/amber10/bin/atomtype -f ac -p bcc -o ANTECHAMBER_AM1BCC.AC-i
ANTECHAMBER_AM1BCC_PRE.AC
drsiklinux1:~/amber10/exe # parmchk -i lig1.mol2 -f mol2 -o lig1.frcmod
drsiklinux1:~/amber10/exe # source leaprc.gaffSB
bash: leaprc.gaffSB: No such file or directory
drsiklinux1:~/amber10/exe # tleap
-I: Adding /root/amber10/dat/leap/prep to search path.
-I: Adding /root/amber10/dat/leap/lib to search path.
-I: Adding /root/amber10/dat/leap/parm to search path.
-I: Adding /root/amber10/dat/leap/cmd to search path.
Welcome to LEaP!
(no leaprc in search path)
> source leaprc.ff99SB
----- Source: /root/amber10/dat/leap/cmd/leaprc.ff99SB
----- Source of /root/amber10/dat/leap/cmd/leaprc.ff99SB done
Log file: ./leap.log
Loading parameters: /root/amber10/dat/leap/parm/parm99.dat
Reading title:
PARM99 for DNA,RNA,AA, organic molecules, TIP3P wat. Polariz.& LP
incl.02/04/99
Loading parameters: /root/amber10/dat/leap/parm/frcmod.ff99SB
Reading force field modification type file (frcmod)
Reading title:
Modification/update of parm99.dat (Hornak & Simmerling)
Loading library: /root/amber10/dat/leap/lib/all_nucleic94.lib
Loading library: /root/amber10/dat/leap/lib/all_amino94.lib
Loading library: /root/amber10/dat/leap/lib/all_aminoct94.lib
Loading library: /root/amber10/dat/leap/lib/all_aminont94.lib
Loading library: /root/amber10/dat/leap/lib/ions94.lib
Loading library: /root/amber10/dat/leap/lib/solvents.lib
> source leaprc.gaff
----- Source: /root/amber10/dat/leap/cmd/leaprc.gaff
----- Source of /root/amber10/dat/leap/cmd/leaprc.gaff done
Log file: ./leap.log
Loading parameters: /root/amber10/dat/leap/parm/gaff.dat
Reading title:
AMBER General Force Field for organic mol., add. info. at the end (June,
2003)
> LIG=loadmol2 lig1.mol2
Loading Mol2 file: ./lig1.mol2
Reading MOLECULE named UNK
/root/amber10/exe/tleap: line 8: 16053 Segmentation fault
/root/amber10/bin/teLeap -I/root/amber10/dat/leap/prep
-I/root/amber10/dat/leap/lib -I/root/amber10/dat/leap/parm
-I/root/amber10/dat/leap/cmd $*
drsiklinux1:~/amber10/exe #
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Received on Sun Nov 11 2012 - 22:30:03 PST
