AMBER Archive (2009)

Subject: Re: [AMBER] How to run LEaP in a shell file?

From: SongLin (songlin_at_moon.ibp.ac.cn)
Date: Mon Dec 14 2009 - 07:45:03 CST

Thank you very much! It works. And I'm sorry for not reading the manual
carefully.

on 2009-12-14 07:44 -0500，case wrote：
> On Mon, Dec 14, 2009, SongLin wrote:
> >
> > I want to build PDB formatted glycan files using LEaP automatically, so
> > I create several shell files like this:
> >
> > #!/bin/bash
> > cd ~/amber10/bin/
> > ./tleap << !
> > source leaprc.GLYCAM_06
> > glycan=sequence{ROH}
> > glycan=sequence{glycan 3VA}
> > glycan=sequence{glycan 3LB}
> > glycan=sequence{glycan 0SA}
> > savepdb glycan glycan.pdb
> > quit
> > !
> >
> > But when I run this file it returns:
> > *** Error: tl_getline(): not interactive, use stdio.
>
> Put the commands in a file, then type 'tleap -f filename'
>
> ...dac
>
>
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