AMBER Archive (2008)

Subject: Re: AMBER: prmtop spec trivia

From: David A. Case (case_at_scripps.edu)
Date: Tue Apr 29 2008 - 13:58:30 CDT

On Tue, Apr 29, 2008, Lachele Foley (Lists) wrote:

> If I had infinite time, I'd probably be programming the Star
> Trek computer:

The point of the ST line of computers is that you *don't* need infinite time.
>
> "unknown specifier 'electroneg_paul' found in topology file"
> "speculate meaning and import"
> "most probable meaning: Pauling electronegativities. generating array
> space and saving data. shall I incorporate into current model?"

You must still have the MarkII version; current releases of the ST line would
not bother with such silly questions.

I know it's a pain to upgrade if you are in a remote sector, but it is still
probably worth the effort.

...dac (initiating log to see how many silly Trekkie emails this will
spawn...)
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