[gmx-users] regarding changing the scale from ps to ns
sudha bhagwati
sudhabhagwati at gmail.com
Tue Sep 3 05:43:22 CEST 2019
Hi,
Thank you.
On Tue, Sep 3, 2019 at 12:29 AM Justin Lemkul <jalemkul at vt.edu> wrote:
>
>
> On 9/2/19 10:00 AM, Dallas Warren wrote:
> > A reply to this question was provided 3 days ago, did that not work? If
> so,
> > provide that information, what command you tried, and what the output
> was.
> > Copy and paste that text too, don't type it out
>
> Beyond that, it's also very easy to do this outside of GROMACS. Just
> divide the time column by 1000 in whatever scripting language the OP likes.
>
> -Justin
>
> >
> > On Mon, 2 Sep. 2019, 4:54 pm sudha bhagwati, <sudhabhagwati at gmail.com>
> > wrote:
> >
> >> Dear gmx users,
> >>
> >> 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*
> >>
> >>
> ----------------------------------------------------------------------------------------------------------------------------------------
> >>
> >> -tu flag is not working for commands showed above. I want to generate my
> >> plots for nanosecond scale using xmgrace. Could you please help me out
> with
> >> this issue. I'd be really grateful to you.
> >>
> >> Thank you.
> >>
> >>
> >> --
> >> Thanks & regards
> >> ~
> >> Sudha Bhagwati
> >> --
> >> Gromacs Users mailing list
> >>
> >> * Please search the archive at
> >> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> >> posting!
> >>
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> >>
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> >> send a mail to gmx-users-request at gromacs.org.
> >>
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Assistant Professor
> Office: 301 Fralin Hall
> Lab: 303 Engel Hall
>
> Virginia Tech Department of Biochemistry
> 340 West Campus Dr.
> Blacksburg, VA 24061
>
> jalemkul at vt.edu | (540) 231-3129
> http://www.thelemkullab.com
>
> ==================================================
>
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>
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--
Thanks & regards
~
Sudha Bhagwati
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