Hi,
What version of cpptraj are you using?
On Wed, Sep 2, 2015 at 7:37 AM, loic etheve <loic.etheve.ibcp.fr> wrote:
>
> trajin 1skn_500ns-W.trj
> hbond HB out hb86.txt dist 3.5 series donormask :86,98 acceptormask
> :1-34.N*,O* avgout test86-98.dat angle 135
> go
> writedata solutehb86-98.dat HB[solutehb]
> lifetime HB[solutehb] out life86-98.dat4 fuzz 2
>
> and this is the result :
>
> Warning: 'fuzzCut' selects no data sets.
> Warning: '1' selects no data sets.
Since the warnings refer to 'fuzzCut' and '1', I am assuming you are
actually using different input than what you posted (i.e. somewhere
there is "fuzzCut 1"); "fuzzCut" is not an option, but "fuzz" is (like
you have in your input). Also, all keywords and commands in cpptraj
are lower-case (and case-sensitive).
-Dan
> LIFETIME: Calculating average lifetime using a cutoff of 0.500000
> of data in 97 sets
> Values greater than 0.500000 are considered present.
> Outfile: life86-98.dat
>
> Can someone telle me what's wrong?
>
> Thanks
>
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
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Received on Wed Sep 02 2015 - 07:00:06 PDT
