Good morning everyone,
I created a tleap.in file and wanted to run it but it keeps giving me the
syntax error or
-I: Adding /mnt/d/amber/amber18/dat/leap/prep to search path.
-I: Adding /mnt/d/amber/amber18/dat/leap/lib to search path.
-I: Adding /mnt/d/amber/amber18/dat/leap/parm to search path.
-I: Adding /mnt/d/amber/amber18/dat/leap/cmd to search path.
-s: Ignoring startup file: leaprc
-f: Source tleap1.in.
Welcome to LEaP!
Sourcing: ./tleap1.in
/mnt/d/amber/amber18/bin/teLeap: Fatal Error!
source: Improper number of arguments!
usage: source <filename>
my file has the following entries
.................
source leaprc.protein.ff14SB
source leaprc.gaff2
source leaprc.water.tip3p
loadamberparams frcmod.ionsjc_tip3p
set default PBradii mbondi3
rec=loadpdb rec.pdb
loadamberparams bras.frcmod
lig=loadmol2 bras.mol2
gascomplex= combine {rec lig}
savepdb gascomplex bras.complex.pdb
saveamberparm gascomplex bras.gas.complex.prmtop bras.gas.complex.rst7
saveamberparm rec bras.gas.receptor.prmtop bras.gas.receptor.rst7
..........................
i used the command
tleap -f tleap1.in
Am i doing anything wrong?
Thank you for your guidance
Regards
Ayesha
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Received on Thu Aug 06 2020 - 10:00:02 PDT
