Thanks for your reply, I will upgrade my version
Le 02/09/2015 16:10, Daniel Roe a écrit :
> The 'fuzz' option is only available as of version 15. In general you
> should use the most up to date version of cpptraj.
>
> -Dan
>
> On Wed, Sep 2, 2015 at 7:47 AM, loic etheve <loic.etheve.ibcp.fr> wrote:
>> 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 - 07:30:04 PDT
