You still need an inpcrd. It doesn't get used though. It can be your md
restart file.
On Aug 28, 2012 1:50 PM, "Sanjib Paul" <sanjib88paul.gmail.com> wrote:
> 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
