AMBER Archive (2009)

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

From: case (case_at_biomaps.rutgers.edu)
Date: Mon Dec 14 2009 - 06:44:29 CST

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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