AMBER Archive (2008)

Subject: AMBER: help... structure factors from amber trajectories?

From: Jose Borreguero (borreguero_at_gmail.com)
Date: Thu Sep 04 2008 - 12:35:57 CDT

Dear Amber users,
I need to compute the incoherent structure factors (elastic, inelastic and
quasi-elastic) for the hydrogen atoms of an amber trajectory. I wonder if
anybody has already gone through the task and would be kind to help me.
Best regards, 

-- 
Dr. Jose M. Borreguero
Postdoctoral Associate
Oak Ridge National Laboratory
P.O. Box 2008, M.S. 6164
Oak Ridge, TN 37831
phone: 865-241-3071 fax: 865-576-5491
Email: borreguerojm_at_ornl.gov

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