AMBER Archive (2004)Subject: AMBER: error message about the input file of sander
From: Ru-Zhen Li (r.li_at_qmul.ac.uk)
Date: Mon Nov 08 2004 - 20:23:23 CST
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_at_qmul.ac.uk
Materials Department
Queen Mary
University of London
E1 4NS
**********************************************************************
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