AMBER Archive (2004)

Subject: AMBER: Minimization failure: 1cbn

From: Harianto (harianto_at_mailer.sb.fsu.edu)
Date: Fri Nov 05 2004 - 11:16:30 CST

Hi every body,
Please help me if you can.
I run minimization and it's not successful.
I got message : .... RESTARTED DUE TO LINMIN FAILURE ...
(using downloded pdb file code: 1cbn)
script :
  imin=1, maxcyc=200, ncyc=100,
    cut=300.0, igb=2, saltcon=0.2, gbsa=1,
    ntpr=10, ntx=1, ntb=0,
    ntr=1,
  &end
   keep all atoms frozen
   5.0
RES 1 46
END
END

I used the same input script minimization file for some other
pdb files, but they worked well.

Thanks alot.
Harianto.

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