Re: what is fullSamples?

From: Jrme Hnin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Tue Aug 28 2012 - 06:25:52 CDT

Hi Seo,

fullSamples tells ABF how much data to collect at one position before
applying a bias. Increasing it to a few thousands will treat slow
systems more gently, inputting less energy, but slowing down the
sampling process.

There is no particular relationship with the other parameters you
mentioned, as they only control the output, not the physics in the
simulation.

Jerome

On 27 August 2012 05:56, 서용일 <seoyi86_at_gmail.com> wrote:
> Dear NAMD users
>
> I want to know the means of fullSamples in ABF
>
> exactly, I want to know the number of sample in each windows and how to
> control the number of sample in each windows if possible
>
> also I want to know the relationship of another options (i.e.
> colvarsTrajFrequency, outputFreq) with fullSamples
>
> from Seo

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