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)
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Received on Mon Jul 14 2014 - 06:00:04 PDT
