Hi
On Mon, Sep 30, 2013 at 1:15 AM, Vijay Manickam Achari
<vjrajamany.yahoo.com> wrote:
>
> rotdif nvecs 1000 ref .C15,C16,O16,H16 \
> ncorr 90 ti 0.0 tf 0.80 dt 0.002 deffout deffs.dat \
> itmax 500 tol 0.000001 d0 0.03 order 2 \
> outfile rotdif.out
>
> [rotdif nvecs 1000 ref .C15,C16,O16,H16 \ ]
In order for a line continuation to be valid there must be nothing
after the backslash character ('\'). In your case you have spaces
after '\', which is why cpptraj reads only the first line (which is
reported in the output). Remove the spaces after your backslashes.
-Dan
--
-------------------------
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 Sep 30 2013 - 15:00:03 PDT
