Re: [ESPResSo-users] Espressomd-users Digest, Vol 80, Issue 6

[Konrad Breitsprecher]

Then it's most likely an equilibration issue. Hard to tell if you don't provide your script..

Warmup in a dense system with constraints can be tricky. If you use energy minimization or a global forcecap, the constraints might be pervaded. You can use individual forcecaps for your particle-particle interactions and no forcecap for particle-wall.

Cheers,

Konrad 

Von meinem iPhone gesendet

Am 26.06.2017 um 19:13 schrieb padidela uday <address@hidden>:

Hii,

Yeah I used this
constraint wall normal 0 0 -1  -53.0  type 2

But still the problem exists.

Thank you

On Mon, Jun 26, 2017 at 9:30 PM, <address@hidden> wrote:

Send Espressomd-users mailing list submissions to
        address@hidden

To subscribe or unsubscribe via the World Wide Web, visit
        https://lists.nongnu.org/mailman/listinfo/espressomd-users
or, via email, send a message with subject or body 'help' to
        espressomd-users-request@nongnu.org

You can reach the person managing the list at
        address@hiddenorg

When replying, please edit your Subject line so it is more specific
than "Re: Contents of Espressomd-users digest..."


Today's Topics:

   1. MMM2D Method (padidela uday)
   2. Re: MMM2D Method (Konrad Breitsprecher)


----------------------------------------------------------------------

Message: 1
Date: Mon, 26 Jun 2017 20:17:26 +0530
From: padidela uday <address@hidden>
To: address@hidden
Subject: [ESPResSo-users] MMM2D Method
Message-ID:
        <CAL33BUnTbKnTn8JmC0BNjkBq_wt2DpQLS-BGh6E0bri7wvLzoQ@mail.gmail.com>
Content-Type: text/plain; charset="utf-8"

Hi all,

I am using the MMM2D method in a charged system with two wall constraints:
constraint wall normal 0 0 1 dist  3.0 type 2
constraint wall normal 0 0 -1 dist 53.0  type 2

I receive a message some particles left the assumed slab, precision might
be lost.

Can anyone please help me to rectify this problem.


Thank you
--
Uday Kumar Padidela
PhD Scholar
Department Of Chemistry,
BITS Pilani, Goa,
Mobile: +91-9850973742
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.nongnu.org/archive/html/espressomd-users/attachments/20170626/9381e4e1/attachment.html>

------------------------------

Message: 2
Date: Mon, 26 Jun 2017 17:07:30 +0200
From: Konrad Breitsprecher <address@hidden>
To: padidela uday <address@hidden>
Cc: "address@hidden List" <address@hidden>
Subject: Re: [ESPResSo-users] MMM2D Method
Message-ID:
        <CACGY7tyZZxszpSu6MJyGvsrqPR6Eaddress@hiddengmail.com>
Content-Type: text/plain; charset="utf-8"

Hello,

normal * dist is your constraint position. So it should be

constraint wall normal 0 0 -1 *dist -53.0*  type 2

Cheers,
Konrad

2017-06-26 16:47 GMT+02:00 padidela uday <address@hidden>:

>
> Hi all,
>
> I am using the MMM2D method in a charged system with two wall constraints:
> constraint wall normal 0 0 1 dist  3.0 type 2
> constraint wall normal 0 0 -1 dist 53.0  type 2
>
> I receive a message some particles left the assumed slab, precision might
> be lost.
>
> Can anyone please help me to rectify this problem.
>
>
> Thank you
> --
> Uday Kumar Padidela
> PhD Scholar
> Department Of Chemistry,
> BITS Pilani, Goa,
> Mobile: +91-9850973742 <+91%2098509%2073742>
>
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.nongnu.org/archive/html/espressomd-users/attachments/20170626/51eb235c/attachment.html>

------------------------------

Subject: Digest Footer

_______________________________________________
Espressomd-users mailing list
address@hidden
https://lists.nongnu.org/mailman/listinfo/espressomd-users


------------------------------

End of Espressomd-users Digest, Vol 80, Issue 6
***********************************************

--

Uday Kumar Padidela
PhD Scholar
Department Of Chemistry,
BITS Pilani, Goa,

Mobile: +91-9850973742