Re: AMBER: error message about the input file of sander

From: Michael Crowley <crowley.scripps.edu>
Date: Mon, 8 Nov 2004 22:48:03 -0800 (PST)

Ru-Zhen,

your namelist needs to end with a
 /

make sure that there is a new line after the terminating "/"
some editors will leave out the last newline if you do not put it in
explicitly.

Mike

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Physical mail: Dr. Michael F. Crowley
                 Department of Molecular Biology, TPC6
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On Tue, 9 Nov 2004, Ru-Zhen Li wrote:

> Dear all,
>
> I got an error message when I tried to use sander,
>
> $AMBERHOME/exe/sander -O -i 1iyt_vac_init_min.in -o 1iyt_vac_init_min.out -c
> 1iyt_vac.inpcrd -p 1iyt_vac.prmtop -r 1iyt_vac_init_min.rst
>
> then it said:
>
> namelist read: no end record
> apparent state: unit 5 named 1iyt_vac_init_min.in
> last format: namelist io
> Unit 5 is a sequenctial formatted external file
> ***Execution Terminated (120)***
>
> I am new user, I followed the instruction from the tutorial, and then I used
> the files from the tutorial, the same error message came out. I noticed that
> nobody has mentioned this error before.
>
> this is the input file
>
> polyA-polyT 10-mer: initial minimisation prior to MD
> &cntrl
> imin = 1,
> maxcyc = 500,
> ncyc = 250,
> ntb = 0,
> igb = 0,
> cut = 12 (I tried both with "," and without it here, and it is the same
> error)
> /does anyone have any idea about this?Thanks!RZ
> **********************************************************************Ms
> Ru-Zhen Li
> 0044-020-78826327
> r.li.qmul.ac.uk
> Materials Department
> Queen Mary
> University of London
> E1 4NS
> **********************************************************************
>
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Received on Tue Nov 09 2004 - 06:53:00 PST
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