Energy will be different with different numbers of atoms.
Bill
<div>-------- Original message --------</div><div>From: Investigador Química <investigacion.faq.gmail.com> </div><div>Date:08/14/2015 10:45 AM (GMT-08:00) </div><div>To: AMBER Mailing List <amber.ambermd.org> </div><div>Subject: [AMBER] the better box size </div><div>
</div>Dear Sirs:
Could you please help me to set up the better box size for AMBER
calculation.
We have used solvateoct with 8.0 , 9.0 , 10.0 and 11.0. And we get
different Etot values.
Thank you.
Best regards
--
Área de Software
Investigación Facultad de Química
Universidad de Santiago de Chile
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Received on Fri Aug 14 2015 - 12:30:03 PDT
