AMBER Archive (2009)
Subject: [AMBER] How to run LEaP in a shell file?
From: SongLin (songlin_at_moon.ibp.ac.cn)
Date: Mon Dec 14 2009 - 01:10:00 CST
I want to build PDB formatted glycan files using LEaP automatically, so
I create several shell files like this:
./tleap << !
savepdb glycan glycan.pdb
But when I run this file it returns:
*** Error: tl_getline(): not interactive, use stdio.
But it's ok when I run these commands line by line. Can you tell me how
to run LEaP automatically? (I can create LEaP command lines
automatically, but I can't run them automatically)
Thank you very much!
Center for Computational and Systems Biology,
Institute of Biophysics, CAS.
15 Datun Road, Chaoyang District
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