Dear all,
I want to use FEW to expediently batch processing ligands. But I got into trouble at the very beginning (using the command file leap_am1). The problem is no matter which tool I use to convert my ligands’ file to mol2 format, FEW just can’t recognise it. Even though I use sdf files, it can’t recognise it either. The tools I tried are Maestro, Babel and VMD.
Please give me any hints on this. Thank you very very much in advance!
Best,
Zhonghua
Helmholtz Zentrum Muenchen
Deutsches Forschungszentrum fuer Gesundheit und Umwelt (GmbH)
Ingolstaedter Landstr. 1
85764 Neuherberg
www.helmholtz-muenchen.de
Stellv. Aufsichtsratsvorsitzender: MinDirig. Dr. Manfred Wolter
Geschaeftsfuehrung: Prof. Dr. med. Dr. h.c. Matthias Tschoep, Heinrich Bassler, Kerstin Guenther
Registergericht: Amtsgericht Muenchen HRB 6466
USt-IdNr: DE 129521671
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Received on Wed Apr 17 2019 - 02:00:02 PDT
