AMBER: Obtaining LCPO parameters for F and Fe

From: zachary hartman <>
Date: Mon, 17 Jul 2006 14:16:54 -0400

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

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Received on Wed Jul 19 2006 - 06:07:07 PDT
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