AMBER Archive (2006)

Subject: AMBER: RDC refinement

From: Lee, Young-Tae (youngtae.lee_at_vanderbilt.edu)
Date: Fri Dec 08 2006 - 14:50:42 CST

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu