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Re: [ESPResSo-devel] Re: BOND_CONSTRAINT
From: |
Christoph Junghans |
Subject: |
Re: [ESPResSo-devel] Re: BOND_CONSTRAINT |
Date: |
Mon, 03 Sep 2007 18:09:23 +0200 |
User-agent: |
Thunderbird 2.0.0.6 (X11/20070728) |
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
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