Hi all,
I am having a problem when running the following tleap command from a
bash script:
/tleap -f leapCys.script >> Molecule.tleap.err
/
leapCys.script has this line:
/source leaprc.parmbsc0_chiOL4_ezOL1/
Molecule.tleap.err then reads:
/ Could not open file leaprc.parmbsc0_chiOL4_ezOL1: not found/
Now when I run exactly the same command from the shell, I don't get any
error, it works just fine:
/tleap -f leapCys.script >> Molecule.tleap.err/
So tleap is able to source the force field when run from the shell, but
not from a bash script.//Could there be something wrong with my PATH?
I'm not sure where to look here...
Thanks in advance for your help!
Andy/
/
--
M.Sc. Andreas Tosstorff
Lehrstuhl für Pharmazeutische Technologie und Biopharmazie
Department Pharmazie
LMU München
Butenandtstr. 5-13 ( Haus B)
81377 München
Germany
Tel.: +49 89 2180 77059
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Received on Tue Dec 12 2017 - 06:00:06 PST