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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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