AMBER Archive (2004)

Subject: Re: AMBER: Minimization failure: 1cbn

From: Bimo Ario Tejo (bimo7_at_gmx.de)
Date: Fri Nov 05 2004 - 16:12:03 CST


Hi Harianto,

This is a FAQ. I did Google search using "restarted due to linmin failure"
and..whoaa..I got many answers for your question! You could also look at
http://amber.scripps.edu/Questions/linmin.html

Best wishes,
Bimo

> 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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-- 
Bimo Ario Tejo, Ph.D
Department of Biochemistry
Faculty of Biotechnology and Biomolecular Sciences
Universiti Putra Malaysia
43400 Serdang
Malaysia
e-mail: bimo7_at_gmx.de
fax: +60-3-89430913

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