Hi, the write output is this one :
Warning: 'fuzz' selects no data sets.
Warning: '2' selects no data sets.
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.dat4
corresponding to the input i gave before
I use cpptraj V14.25
Loic
Le 02/09/2015 15:43, Daniel Roe a écrit :
> 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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>
>
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Received on Wed Sep 02 2015 - 07:00:08 PDT
