[AMBER] question on the reference data of GIST

From: Shunsuke Mizutani <mizutani.poly-bm.eng.hokudai.ac.jp>
Date: Thu, 8 Sep 2016 17:54:31 +0900

Dear all

 

I am trying to calculate my own reference data of TIP3P water model at
several temperatures.

 

And I am wondering what conditions (box size, grid size, Integer number of
grid increment etc. ) I should set for the calculation.

 

Kindly, please tell me about these several conditions.

 

Sincerely,

 

Shunsuke Mizutani

Hokkaido University, Ph.D. student

 

 

 

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Received on Thu Sep 08 2016 - 02:00:03 PDT