Re: ERROR TOLERANCE

From: L- (lamyaoo_at_gmail.com)
Date: Wed Dec 05 2018 - 14:00:47 CST

I Will do,
Thank you Giacomo

On Wed, Dec 5, 2018 at 2:52 PM Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:

> 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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