AMBER Archive (2002)

Subject: Re: mol2 with antechamber

From: David A. Case (case_at_scripps.edu)
Date: Fri Jul 26 2002 - 10:54:08 CDT

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 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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