On Fri, Jul 26, 2002, Giulio Rastelli wrote:
> is it possible to write out the sybyl-atom types in the mol2 output produced
> by antechamber? So far, the column where atom types should be written out
> reports the atom names.
If you use the "-at sybyl" flag for antechamber (for "sybyl atom types")
you should get what you want.
(This flag is not documented in the Users' Manual, but we'll get that in for
the next release. We are still updating the mol2-awareness of Amber).
..hope this helps...dac
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
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La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Fri Jul 26 2002 - 08:54:08 PDT
