On Wed, Dec 11, 2013 at 10:38 AM, Saeed Nasiri <s.t.nasiri.gmail.com> wrote:
> Dear Jason Swails
>
> Thanks for quick replying. I knew there are some some problems in the
> script (that is suggested by the amber's tutorial) but I don't know how to
> correct them. I wrote in the last comment, I first create mdin.in file and
> then run sander in the terminal and I have problem again.
>
> Your Sincerely
> Nasiri
>
>
> mdin.in
> =======================================================
> minimization
> &cntrl
> imin=1,
> ntpr=100,
> ntwx=100,
> maxcyc=10000,
> ntb=1,
> &end
> ======================================================
>
> $ sander -O -i mdin.in -o min1.o -p ionicbox.prmtop -c ionicbox.inpcrd -r
> min1.x -x min1.nc -e min1.dat
> *Segmentation fault*
>
This is strange, and does not tell us the source of the problems. Such a
common input file should never segfault... Do the tests pass?
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Dec 11 2013 - 10:00:03 PST
