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.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jul 19 2006 - 06:07:07 PDT
