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Re: [ESPResSo-users] constraint pore


From: Kai Szuttor
Subject: Re: [ESPResSo-users] constraint pore
Date: Thu, 18 Aug 2016 08:51:15 +0200
User-agent: Mutt/1.5.23 (2014-03-12)

Hi,

please consider using the current development version by cloning it from
github:

git clone https://github.com/espressomd/espresso.git

I was able to run the script you previously attached with the current
master.

Cheers,

Kai
On Wed, Aug 17, 2016 at 10:04:16PM +0430, 93200347 wrote:
>    To whome it may concern
> 
>    Hi,
> 
>    sorry for asking again,it would be so nice if you could help me on this
>    topic.I had this question emailed a few days ago,unfortunatly the problem
>    stil exists and I was unable to find anyone else helping me solving this 
>    issue.
> 
>    I,ve been using older versions up to espresso 3.2.0 and my code was okay
>    in them but I encountered a problem using latest version 3.3.1.
> 
>    I.ve been using constraint pore for translocation with following syntax:
> 
>     constraint pore center $x_pore $y_pore $z_pore axis $x_axis $y_axis
>    $z_axis radius $rad length [expr $leng/2]  type 2
>      constraint wall dist 0. normal 1.0 0. 0. type 2
> 
>    But in new version I used this instead:
> 
>     constraint pore center $x_pore $y_pore $z_pore axis $x_axis $y_axis
>    $z_axis radius $rad length [expr $leng/2]  type 2
> 
>    According to the ug, these syntaxs should be similar.
> 
>    when I translocate particle from the right side to the left side after the
>    middle recieve this error:
> 
>    particle cordinate out of range& constraint pore violated by particle.
> 
>    when I translocate particle from the left side to the right side near the
>    pore recive this error:
> 
>    particle coordinate out of range.
> 
>    when I consider outer _rad solve this errors!!!!
> 
>    Since I didn,t recive any error modeling the same system in previous
>    version,can this problem been caused by software bugs in 3.3.1?
> 
>    would you please explain the geometry of pore in 3.3.1?
> 
>    Thanks for your time and consideration,your help our  so vital for me.I
>    will appreciate any guidance from you.
> 
>    sincerely yours,
> 
>    zeinab

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