[AMBER] virtual box in gas phase simulation

From: Xiangyu Jia <zhouhaibin2008.ok.163.com>
Date: Fri, 4 Nov 2016 17:07:25 +0800 (CST)

Hi all,

  When I did an Abf-QM/MM simulation, I met the error "the system has extended beyond the extend of the virtual box". I wonder why Sander used virtual box during gas phase simulation?

Best regards.

--
Xiangyu Jia
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State Key Laboratory of Precision Spectroscopy
& Department of Physics, 
East China Normal University, Shanghai 200062, China
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贾相瑜
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华东师范大学物理系 精密光谱国家重点实验室
上海市普陀区中山北路3663号华东师范大学
邮编：200062 
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Received on Fri Nov 04 2016 - 02:30:02 PDT