[gmx-users] nstxout, nstvout, . . .

[dina dusti]

________________________________

Dear Mark and Chandan kumar Choudhury
Thank you very much from your answers. May I know what is the best of frequency to write the output (In MARTINI), Please?
Best Regards
Dina




On Sat, Apr 6, 2013 at 8:25 AM, Chandan Choudhury <iitdckc at gmail.com> wrote:

You need to re submit the jobs, with decreased time.
>

And next time check with the manual and consider your needs before making arbitrary choices :-)

Mark
 

>
>--
>Chandan kumar Choudhury
>NCL, Pune
>INDIA
>
>
>
>On Sat, Apr 6, 2013 at 11:20 AM, dina dusti <dinadusti at yahoo.com> wrote:
>
>> Dear Specialists
>>
>>
>> I am a beginner at Gromacs. I work with MARTINI CG force field.
>>
>> I selected 50000 for
>>
>> nstxout        = 50000
>> nstvout        = 50000
>> nstenergy    = 50000
>> nstlog        = 50000
>> nstxtcout                = 50000
>>
>> and my jobs have been finished.
>>
>> I found that this time is very large. Is there a way for correct this
>> time? Or, should I do these jobs again?!
>> May I ask you to help me, Please?
>> Best Regards
>> Dina
>>
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