Hi,
We need a few more details to effectively debug your issue. What version of
cpptraj are you running (cpptraj --version)? Are you running in interactive
mode or in batch mode? If you are running in interactive mode you need to
type 'run' to actually execute any actions you have queued. If that's not
the issue, can you post your complete cpptraj input and output? Thanks,
-Dan
On Fri, Mar 28, 2014 at 11:37 PM, DEBOSTUTI GHOSHDASTIDAR <
debostutighosh.gmail.com> wrote:
> Hi
>
> I am trying to disable the angle cutoff in cpptraj hbond analysis but the
> job is not running when I do that.
>
> My command line is:
>
> hbond W_W out wat_wat_nocut.dat :WAT angle -1.0 dist 3.5 avgout
> wat_wat_avg_nocut.dat
>
>
> Can anybody help me with what's going wrong?
>
> Thanks
> --
> Debostuti
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>
--
-------------------------
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 Sat Mar 29 2014 - 12:30:08 PDT
