You need one and only one space before the "&".
On Wed, 25 Oct 2000, Eoin Galligan wrote:
> Dear all
>
> I am trying a basic minimisation; the following is my input file:
>
> &cntrl
> imin=1, maxcyc=100, nptr =20, scee=1.2, nsnb=1000, ntmin=2,
> &end
>
> sander_classic -O -i min.in -p topfile.top -c crdfile.crd -o min.out -r
> min.rst
>
> -When I run the min I receive the following error message, however I cant
> see what is wrong with the input file.
>
>
> fmt: read unexpected character
> apparent state: unit 5 named min.in
> last format: (F10.0,10I5)
> Unit 5 is a sequential formatted external file
> *** Execution Terminated (115) ***
>
>
> All help gratefully received!
> With Regards, E. Galligan
>
>
> tel: 0115 9515151 ext 66272
> mobile: 07968 349629
> mobile email: eoingalligan_at_sms.genie.co.uk
> (160 char max)
>
> Laboratory of Biophysics and Surface Analysis,
> Institute of Pharmaceutical Sciences,
> Nottingham University,
> University Park,
> Nottingham,
> NG7 2RD,
> UK
>
>
>
>
>
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Department of Pharmaceutical Chemistry (fax) 415-502-1411
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513 Parnassus Avenue (video) farbauti.compchem.ucsf.edu
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Received on Wed Oct 25 2000 - 12:40:02 PDT
