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Re: [ESPResSo-users] torque, quat, rotation..
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From: |
Axel Arnold |
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Subject: |
Re: [ESPResSo-users] torque, quat, rotation.. |
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Date: |
Mon, 18 Aug 2014 21:19:21 +0400 |
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User-agent: |
Mozilla/5.0 (Macintosh; Intel Mac OS X 10.9; rv:24.0) Gecko/20100101 Thunderbird/24.6.0 |
On 18.08.14 19:00, Dudo wrote:
Please, does anybody have experience with the particle properties like
torque, omega, rinertia,
rotation, ext_torque, etc.. Is it possible to use these in order to
induce a torsional stress to a polymer chain?
Hi!
to get torsional stress, you just need the torques and rotational
degrees of freedom. However, there is no bonded torsional potential
implemented yet, which you would need to twist a polymer. We will
probably do that later this year/beginning next year, to model
supercoiled DNA.
Best,
Axel
--
JP Dr. Axel Arnold
ICP, Universität Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609