AMBER Archive (2008)

Subject: Re: AMBER: antechamber test failure

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Thu Oct 16 2008 - 06:04:13 CDT

On Thu, Oct 16, 2008, john smith wrote:

> Antechamber is successful for small models with 3 amino residues but not for
> the whole protein.

Antechamber is designed for *single* residues or small molecules. Trying to
apply it to proteins is way outside of its intended range of applicability.

Of course, it would be good for it to give better error messages when asked to
do something it was not desinged for. As we have the time, we may try to make
such improvements.

...dac

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