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Author Topic: DNA conformational energy components  (Read 2519 times)

Offline aleksandrak

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DNA conformational energy components
« on: November 25, 2013, 10:40:22 am »
Hello,

I have noticed that the components of deformation energy printed in the deform_energy program output DO NOT sum up to the total energy value.

Can it be solved?
Thank you!!


Offline aleksandrak

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Re: DNA conformational energy components
« Reply #1 on: November 25, 2013, 12:51:47 pm »
OK, I have figured it out. As components we can only see ii terms (no cross terms). I will try to make the code to output the total per parameter though I am not C familiar.
thank you!

Offline xiangjun

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Re: DNA conformational energy components
« Reply #2 on: November 25, 2013, 01:58:57 pm »
Thanks for posting you question on the 3DNA Forum, and I am glad to see that you have solved your own problem.

As its name implies, the "Users' contributions" section is not part of the 3DNA distribution. It is made possible and maintained (if any) by enthusiastic users like you.

Thanks,

Xiang-Jun
« Last Edit: November 25, 2013, 09:53:18 pm by xiangjun »
Dr. Xiang-Jun Lu [律祥俊]
Email: xiangjun@x3dna.org
Homepage: http://x3dna.org/
Forum: http://forum.x3dna.org/

 

Created and maintained by Dr. Xiang-Jun Lu[律祥俊]· Supported by the NIH grant R01GM096889 · Dr. Lu is currently a member of the Bussemaker Laboratory at the Department of Biological Sciences, Columbia University. The project is in collabration with the Olson Laborarory at Rutgers where 3DNA got started.