AMBER Archive (2008)

Subject: Re: AMBER: AddIons approach

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Fri Oct 10 2008 - 06:52:52 CDT

On Fri, Oct 10, 2008, parul sharma wrote:

> > addIons nmb Na 14 Cl 15
> addIons: Argument #2 is type String must be of type: [unit]

Ion names in Amber are things like "Na+" and "Cl-"; you can't just say "Na"
and "Cl".

I think we should flag this more prominently as an error message, since it is
easy to ignore or misunderstand what is written right now. But for now, treat
messages like the one above seriously, and get things fixed before going
further.

...dac

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