AMBER Archive (2006)

Subject: Re: AMBER: Simulated Annealing problem...

From: sai vikram (vsaivikram_at_gmail.com)
Date: Sat Dec 30 2006 - 07:12:53 CST

Dear Professor,

      Thanks for your kind reply and suggestions too.

      I foundout the error and ran it successfully.

    with regards
    vikram

On 12/29/06, David A. Case <case_at_scripps.edu> wrote:
>
> On Fri, Dec 29, 2006, sai vikram wrote:
>
> > I am trying to do a simulated annealing on a protein structure
> restraining
> > Restrain 2 to 20 residues
> > 50.0
>
> this is a very large restraint
>
> >
> > Restrain the CA atom of first residue strongly
> > 1000.0
>
> this is an incredibly large restraint, and will probably lead to dynamical
> problems. Consider using a restraint that is one to two orders of
> magnitude
> smaller.
>
> > Error:
> > too many values for NAMELIST variable
> >
> >
> > &wt type='END'
>
> You are missing the "&end" sentinel in this namelist section.
>
> ...dac
>
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