[AMBER] help for restraint minimization

From: jacky zhao <jackyzhao010.gmail.com>
Date: Wed, 24 Mar 2010 17:23:38 +0800

Hi everyone

  when I am going to perform a protein backbone restrained minimization, I
have the problem to run the minimization. The input file is attached as
followed:

 &cntrl
  imin=1, maxcyc = 10000, ncyc =1000,
  ntb=1, ntr=1 , cut=10.0
/
restraint backbone
500
ATOM :1-1045.CA,C,N,H
END
END


 Could you mind to help me to correct the input file?

Thank you for your help.

Jacky
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Mar 24 2010 - 02:30:09 PDT
Custom Search