AMBER: energy minimization parameter

From: Qiang Zhong <zqiang320.webmail.hzau.edu.cn>
Date: Wed, 29 Aug 2007 15:54:12 +0800

Dear Amber users:
           I am study the TUTORIAL A8: Loop dynamics of the HIV-1 integrase core
domain.
I cann't understand some content of min.in.the file content is below:
Minimization with Cartesian restraints for the solute
 &cntrl
 imin=1, maxcyc=200,
 ntpr=5,
 ntr=1,
 &end
Group input for restrained atoms ///what meaning of this line, it is
just comment?
100.0
///what meaning of this line, it is box size?
RES 1 155
END
END

I don't know what meaning of comment line,Could somebody tell me what meaning it
is?


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Received on Sun Sep 02 2007 - 06:07:04 PDT
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