AMBER: RDC refinement

From: Lee, Young-Tae <youngtae.lee.vanderbilt.edu>
Date: Fri, 8 Dec 2006 14:50:42 -0600

Hi,

I am carrying out minimization and rMD of NMR structures using Amber9. How can I set a force constant for RDC restraints?
Also how can I start rMD with alignment tensors from last alignment tensor set in the previous minimization? Or not much important to have such initial tensors?

Thanks,
Young-Tae

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Received on Sun Dec 10 2006 - 06:07:05 PST
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