Re: [AMBER] the better box size

From: Bill Ross <>
Date: Fri, 14 Aug 2015 12:18:17 -0700

Energy will be different with different numbers of atoms.


<div>-------- Original message --------</div><div>From: Investigador Química <> </div><div>Date:08/14/2015 10:45 AM (GMT-08:00) </div><div>To: AMBER Mailing List <> </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

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
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