[gmx-users] chemical shift and dipolar

YUJIE WU Yujie.Wu at hec.utah.edu
Fri Mar 8 06:28:26 CET 2002

Hi there,

I am wondering how to calculate two quantities from a MD simulation:

15N anisotropic chemical shift and 15N-1H dipolar for an alpha helix.

Could anyone kindly enlighten me?

Thanks very much in advance!


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