Thank you Daniel.
Before trying AMBER TOOLS 14 I tried removing the 'quit' and it worked.
On Mon, Jul 14, 2014 at 6:08 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> First I recommend using the latest version (from AmberTools 14) as it
> contains numerous bugfixes and enhanced functionality.
>
> On Monday, July 14, 2014, Saikat Dutta chowdhury <pbr322.dutta.gmail.com>
> wrote:
>
> >
> > *cpptraj mysystem.prmtop << EOFtrajin remd.TEMP.298.00rms first .CAmatrix
> > dist .CA out dist_avg.gnuquitEOF*
> >
> > INPUT: Reading Input from STDIN, type "go" to run, "quit" to exit:
>
>
> This is the key message. Since you have 'quit' in your script you are
> telling cpptraj to exit without doing anything else. Remove 'quit' and
> things should run.
>
> -Dan
>
>
> > > [trajin remd.TEMP.298.00]
> > [remd.TEMP.298.00] contains 10000 frames.
> > > [rms first .CA]
> > > [matrix dist .CA out dist_avg.gnu]
> > >
> > ----------------------------------
> > I get the above output in the terminal but *dist_avg.gnu* file is not
> > written.
> >
> >
> > Could anyone point out what am I doing wrong or how to calculate the
> > distance.
> >
> >
> > With regards,
> > --
> > Saikat Dutta Chowdhury
> > Email: pbr322.dutta.gmail.com <javascript:;>
> > Mob:
> > 8017650842
> > 9681144106
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org <javascript:;>
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 201
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Saikat Dutta Chowdhury
Email: pbr322.dutta.gmail.com
Mob:
8017650842
9681144106
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Received on Mon Jul 14 2014 - 06:30:02 PDT
