Looks like you're missing a space before irest=0. Don't know if that would do
it. If that doesn't fix things, you should probably tell the list which version
of amber you're using. Different versions recoginize different flags, and if you
have a bad flag in there for your version, you will get the type of error
message you describe.
Kristina
Quoting Volodymyr Zloy <vzloy.yahoo.com>:
>
> Dear Amber users,
>
>
>
> I have input file for md simulation.
>
>
>
> molecular dynamics run
> &cntrl
> imin=0,irest=0, ntx=1, tempi=0.,
> scee=1.2, cut=9.0,
> ntt=1, temp0=50.0, tautp=0.2,
> ntp=1, taup=0.2, npscal=1,
> ntb=2, ntc=2, ntf=2, nsnb=25,
> nstlim=500, iwrap=1,
> ntwe=100, ntwx=100, ntpr=25,
> ntr=1,
> &end
> Restrained solute
> 50.0
> FIND
> * * * *
> SEARCH
> RES 1 436
> END
> END
> eof
>
>
> Unfortunatly, It doesn't work. I have in log file next:
>
>
>
> fmt: read unexpected character
> apparent state: internal I/O
> last format: (i5)
> lately reading sequential formatted internal IO
>
> What can you reccomend me?
>
>
>
> Volodya
>
>
>
>
> ---------------------------------
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-----------------------------------------------------------------
Kristina E. Furse
Department of Chemistry
Center for Structural Biology
Vanderbilt University
Email: kristina.e.furse.Vanderbilt.Edu
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Received on Wed Sep 15 2004 - 21:53:00 PDT
