Dear Amber Users,
I have a trajectory file (.mdcrd) of 1 ns.
I want to minimize all the structure present in trajectory file using
imin = 5 in AMBER 9. I give command like following:
$AMBERHOME/exe/sander -O -i mdin -o mdout -p prmtop -y inptraj -x mdcrd &
But sander is not running and the error coming to output file is like following:
getting new box info from bottom of inpcrd
Unit 30 Error on open : inpcrd
My mdin file is:
minimization
&cntrl
imin = 5,
ntb = 1,
ntr = 0,
maxcyc = 10000,
ncyc = 5000
/
I don't have any file named inpcrd.
So, what can I do? Please help..
sanjib
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Received on Tue Aug 28 2012 - 11:00:03 PDT
