AMBER Archive (2003)

Subject: Re: antechamber -rn keyword

From: David A. Case (case_at_scripps.edu)
Date: Fri Mar 28 2003 - 13:54:46 CST

On Wed, Mar 26, 2003, Giulio Rastelli wrote:

> is the antechamber's residue name (-rn BLA) keyword broken? Whatever input
> fomat I used (pdb, mol2..) the prep file produced always have the same
> residue name as the input.

As the help message indicates, the "-rn" switch is only active if the
residue name is not available from the input file. So the program is
working as designed.

But this was probably not a good design choice: we should modify the code so
that -rn overrides what is in the input file, since that would be useful in
many circumstances. (Junmei: what do you think about this?)

..thanks for the report....dac 

-- 

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