AMBER Archive (2009)

Subject: [AMBER] QM/MM

From: Syed Tarique Moin (tarisyed_at_yahoo.com)
Date: Mon May 04 2009 - 10:32:29 CDT

Dear all,

I am simulating the aminoacid in water of 15 Angstrom layer using QM/MM implemented in amber10 using AM1 theory, but i am getting the following error, QM-Cutoff is larger than a box and you require a larger box.

Thanks in advance

Syed Tarique Moin,

Junior Research Fellow,

H.E.J. Research Institute of Chemistry,

International Center for Chemical and Biological Sciences,

University of Karachi, Karachi-75720, Pakistan

tarisyed_at_yahoo.com

tarisyed_at_hotmail.com

      
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