AMBER Archive (2008)

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

From: Jose Borreguero (
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

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