AMBER Archive (2006)

Subject: AMBER: Obtaining LCPO parameters for F and Fe

From: zachary hartman (deadally_at_hotmail.com)
Date: Mon Jul 17 2006 - 13:16:54 CDT

We're having difficulty running energy of decomposition through mm_pbsa
because the LCPO's are missing for the elements. We figure that we'll need
to calculate these ourselves at some point, but if anybody could guide us to
a paper that explicitly explains how to obtain these parameters, we would be
greatly appreciative.

Thank you!

Zach Hartman

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