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Messages - aleksandrak
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« 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!
2
« 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!!
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Created and maintained by Dr. Xiang-Jun Lu, Department of Biological Sciences, Columbia University
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