From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Wed Dec 05 2018 - 13:51:42 CST
Please look at the lines before and after that one, and take a look at the
following section:
http://www.ks.uiuc.edu/Research/namd/2.13/ug/node27.html#SECTION00086100000000000000
That line is OK only if the constraint error tolerance is appropriate for
your system. It is always a good idea to be aware of the parameters that
you put in, especially those that are not default.
Giacomo
On Wed, Dec 5, 2018 at 2:35 PM L- <lamyaoo_at_gmail.com> wrote:
>
> i am ruining simulation in water box for protein , I found one line in
> the log file ,, that say "Info: ERROR TOLERANCE : 1e-05"
> it is only in one line .. and the simulation run ok with no FATAL ERROR unit
> it done ..
> is that line ok , or i should change something
> thank you .
> Lamya
>
>
>
-- Giacomo Fiorin Associate Professor of Research, Temple University, Philadelphia, PA Contractor, National Institutes of Health, Bethesda, MD http://goo.gl/Q3TBQU https://github.com/giacomofiorin
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