about dipolar-dipolar couplings

[Rongchun Zhang]

Is it possible to directly assign a value for the dipolar-dipolar couplings between two protons?

Thanks

Best regards,

Rongchun

[Mikhail Veshtort]

Hi Rongchan,

You can disable the automatically computed dipolar interaction by setting its scaling factor to zero, and then you can use the anisotropic j-coupling in place of the dipolar interaction (as they have identical Hamiltonians).

Best regards,

Mikhail

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[Rongchun Zhang]

That's a good way.

Thanks, Mikhail. 

By the way, I find the spinevolution software 3.4.5 has expired. Where can I use and download the new one?

It's kind of bad news for us graduate student to hear that SPINEVOLUTION will be not free any more.

Anyway, still thanks very much for your selfless help.

Happy New Year.

Greetings,

Rongchun

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Best regards,

Rongchun

**************************************************
张荣纯 Rongchun Zhang
Room 4002, Chemistry Building, 

Biophysics and Department of Chemistry,

University of Michigan, Ann Arbor, MI, US.

Mobile: (01)734-353-9636

Email: zrc...@gmail.com
           rozh...@umich.edu

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[Mikhail Veshtort]

Hi Rongchun,

You will be able to download the new version from spinevolution.com in few days.

Happy New Year))

Mikhail