The "&" characters MUST be in column 2. The first line
of the file also must be a comment (or blank) line.
On Mon, 22 Apr 2002, Vlad Cojocaru wrote:
> I have a problem with resp that I cannot understand:
> I have the following .in file
>
>
> &cntrl
>
> nmol=1,
> ihfree=1,
> ioutput=0
>
> &end
> 1.0
> 1-methyl-2-aminopurine
> 0 18
> 6 0
> 7 0
> 6 0
> 1 0
> 7 0
> 6 0
> 6 0
> 7 0
> 6 0
> 7 0
> 6 0
> 7 0
> 1 0
> 1 13
> 1 0
> 1 0
> 1 0
> 1 0
>
> when I run RESP I receive the following error: "Sorry you must use
> namelist input".
> Can somebody tell me where might the problem be?
>
> --
> Vlad Cojocaru
> Max Planck Institut for Biophysical Chemistry
> Deparment: 060
> Am Fassberg 11, 37077 Goettingen, Germany
> tel: ++49-551-201.1389
> e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
> Home Address: Gutenbergstrasse 26/8
> 37075 Goettingen, Germany
> Home tel. number: ++49-551-9963204
> Mobile: ++49-179-6851586
> alternative email: johhnny_ar_at_yahoo.com
>
>
----------------------------------------------------------------------------
James W. Caldwell (voice) 415-476-8603
Department of Pharmaceutical Chemistry (fax) 415-502-1411
Mail Stop 0446 (email) caldwell_at_heimdal.ucsf.edu
513 Parnassus Avenue
University of California
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Received on Mon Apr 22 2002 - 08:04:25 PDT
