Re: [ESPResSo-devel] Re: BOND_CONSTRAINT

[Christoph Junghans]

Dear Olaf,

I have used BOND_CONSTRAINT for a while and it works quite ok, except it 
make all a bit slow. I have recently used something like:

inter 0 RIGID_BOND 0.43 0.0001 0.0001

where this 0.0001 is the tolerance for place and velocity measured in 
unit of the total length

0.0001 means in my case tolerance from 0.42996 to 0.43004

So the 99. for r_tol from Chris seem to be a little large...

Bye,

Christoph


Olaf Lenz wrote:
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> Hi Arjit!
>
> Thanks for your answer, and sorry for the hassle that all this caused!
> Indeed, the testcase apparently has never been included into ESPResSo.
> Now that I have it, I will include it by times.
> I had already found out the syntax of creating a rigid bond, and I
> suppose that it will work correctly. The problems of this Jesudason guy
> seem to be more of a psychological nature.
>
> Good luck with your thesis!
> Best regards
>         Olaf
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--
Christoph Junghans
Max Planck Institute for Polymer Research
Theory Group
POBox 3148
D 55021 Mainz, Germany

Phone: +49 6131 379 335
Web: http://www.mpip-mainz.mpg.de/~junghans