Re: AMBER: antechamber, how does it work

From: David A. Case <>
Date: Thu, 16 Aug 2007 08:40:16 -0700

On Wed, Aug 15, 2007, Francesco Pietra wrote:

> I was mislead by the temperature setting, that Amber9 manual lists under the
> "divide and conquer" option.

Can you be more explicit about where this is? I've looked for it, to try to
change it, but I seem to be missing where in the Amber manual.

I'm guessing maybe you thought the divcon.out file is ambiguous, since it says
both "standard calculation (no d&c)" and "d&c temperature of 1000 K will be
used". The latter is under "defaults", but should probably not be printed if
"standard" is set. If that is it, then the divcon people read this list, and
can fix the problem in future versions.


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Received on Sun Aug 19 2007 - 06:07:25 PDT
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