DNA conformational energy components

[aleksandrak]

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!!

[aleksandrak]

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!

[xiangjun]

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