Dear developers,
I was looking for the definition of each energy term printed in the mdout
(Etot, EKtot,EPtot, 1-4 EEL, ...), e.g. how to relate some of this terms to
the equation on page 13 of amber12 manual. Nevertheless I was not able to
find a clear answer (not even in the mailing list).
I know that the names are more or less self explanatory. Nevertheless it
would be of great help if you could please point me to a place (web-page,
pdf ...), where each of the energy terms appearing in the mdout file are
briefly explained. Just in order to avoid a misunderstanding.
Much obliged for your attention!
All the best,
Guilherme Vilhena
--
====================================================
*Guilherme Vilhena, Ph.D*
Universidad Autonoma de Madrid,
Departamento de Fisica Teorica de la Materia Condensada
Facultad de Ciencias, Modulo C-5
E-28049 Madrid, Spain
tel: +34 91 497 2789
fax: +34-91-4974950
====================================================
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Received on Fri Aug 09 2013 - 03:30:03 PDT
