AMBER Archive (2007)

Subject: AMBER: energy minimization parameter

From: Qiang Zhong (zqiang320_at_webmail.hzau.edu.cn)
Date: Wed Aug 29 2007 - 02:54:12 CDT


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?

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu