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Re: [ESPResSo-users] torque, quat, rotation..


From: Axel Arnold
Subject: Re: [ESPResSo-users] torque, quat, rotation..
Date: Mon, 18 Aug 2014 21:19:21 +0400
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, Universit├Ąt Stuttgart
Allmandring 3
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609




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