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

[Mohammadreza Niknam Hamidabad]

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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