On Fri, Apr 17, 2015 at 7:17 AM, Hannes Loeffler <Hannes.Loeffler.stfc.ac.uk
> wrote:
> You are mixing shell scripting with leap scripting. I guess what you
> want is this
>
>
> #!/bin/sh
>
> for file in output*.pdb; do
> i=`expr index $file .`
> f1=`expr substr $file 1 $i`
>
> tleap -f - <<_EOF
> source leaprc.ff99SB
> x = loadpdb $file
> saveamberparm x $f1.top $f1.crd
> _EOF
>
This doesn't actually work with tleap. stdin must come from a tty,
otherwise you get an error like this:
*** Error: tl_getline(): not interactive, use stdio.
(I've tried this myself before, wishing it would work).
You actually have to print a leap script directly and use that.
All the best,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Apr 17 2015 - 05:30:03 PDT
