[AMBER] Problem regarding imin = 5

From: Sanjib Paul <sanjib88paul.gmail.com>
Date: Tue, 28 Aug 2012 23:20:09 +0530

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:
   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..


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Received on Tue Aug 28 2012 - 11:00:03 PDT
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