Dave -
Fixed in the amber 10 tree, marked revision 9.3 of sander.me.
Regards - Bob
(changed ntwx values to 1 snapshot per psec; removed useless params (ntwx,
ntwe, ioutfm) from a minimization example).
----- Original Message -----
From: "David A. Case" <case.scripps.edu>
To: <amber-developers.scripps.edu>
Sent: Friday, May 05, 2006 1:27 PM
Subject: Re: amber-developers: Troubles at PSC
> 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 - 06:07:07 PDT
