Re: amber-developers: Troubles at PSC

From: David A. Case <case.scripps.edu>
Date: Fri, 5 May 2006 10:27:19 -0700

On Fri, May 05, 2006, Robert Duke wrote:

> Okay, back to the manual. I perused it quickly.
> It has at least two early examples with ntwx set to 100. It has one
> example with it set to some huge number, rather than just not setting it or
> setting it to 0 (so this can produce confusion). It has a couple of
> examples of it set to 500 for PB (that is too high a frequency unless dt =
> .002 - I don't remember what it was). It has one charming example of a
> MINIMIZATION being run with ntwx and a few other things that make no sense
> being set to moderate numbers.

Can you go ahead and correct these, at least in the amber10/doc CVS tree?
If I get the details, I can also add a note to the erratum page of the amber9
manual to warn people to be careful about setting ntwx.

...thanks...dave
Received on Sun May 07 2006 - 06:07:06 PDT
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