[gmx-users] regarding changing the scale from ps to ns

[sudha bhagwati]

Thanks for the reply.
But it did not work for me. Can you please write the command line, it would
be much helpful.
Thank you.


On Thu, Aug 29, 2019 at 2:33 PM Mohammadreza Niknam Hamidabad <
jj700physics at gmail.com> wrote:

> Hi,
> I'm currently using Gromacs 2018 and I'm not quite sure about the 5.x
> version. The gyrate module doesn't have -tu flag so my suggestion is that
> you convert your .xtc file to a new xtc file with trjconv -tu ns then use
> gyrate for your calculation.
> I hope you find it useful.
>
> Best regards,
> Reza
>
>
> On Thu, Aug 29, 2019 at 7:38 AM sudha bhagwati <sudhabhagwati at gmail.com>
> wrote:
>
>> Hi,
>>
>> I am using the GROAMCS 5.1.4 version.
>>
>> ----------------------------------------------------------------------------------------------------------------------------------------
>> Running the commands below:
>>
>>
>> *gmx gyrate -s md_0_20.tpr -f md_0_20_noPBC.xtc -o gyrate.xvg -tu ns*
>> *OR*
>> *gmx energy -f ie.edr -o interaction_energy.xvg -tu ns*
>>
>>
>> Error while executing commands:
>>
>> *Error in user input:*
>>
>> *Invalid command-line options    Unknown command-line option -tu*
>>
>> ----------------------------------------------------------------------------------------------------------------------------------------
>>
>> I want to generate my plots for nanosecond scale. Could you please help me
>> out with this issue. I'd be really grateful to you.
>>
>> Thank you.
>>
>>
>> --
>> Thanks & regards
>> ~
>> Sudha Bhagwati
>> --
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>

-- 
Thanks & regards
~
Sudha Bhagwati