Thank you so much sir.
On Wed, Jan 10, 2018 at 8:00 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> The 'datafile' command works on files generated by cpptraj, not any
> existing file. You need to put the 'datafile' command in your original
> script with the 'dssp' command in it.
>
> -Dan
>
> On Wed, Jan 10, 2018 at 9:53 AM, Rana Rehan Khalid <rrkhalid.umich.edu>
> wrote:
> > Dear Sir
> >
> > I use this command as you mentioned ""datafile hhhh.gnu time 10.0" in the
> > cpptraj every time error message show
> >
> > Error: datafile: File hhhh.gnu not found.
> >
> > while the folder have the hhhh.gnu file.
> > Kind Regards
> >
> > On Wed, Jan 10, 2018 at 7:13 PM, Daniel Roe <daniel.r.roe.gmail.com>
> wrote:
> >
> >> Hi,
> >>
> >> You should be able to just use the cpptraj command 'datafile
> >> <filename> time <#>' argument to change from frames to time, where <#>
> >> is the time between frames. For example, if the time between frames is
> >> 10 ps you could do:
> >>
> >> datafile dssp.gnu time 10.0
> >>
> >> -Dan
> >>
> >> On Wed, Jan 10, 2018 at 8:44 AM, Rana Rehan Khalid <rrkhalid.umich.edu>
> >> wrote:
> >> > Dear Amber Users
> >> >
> >> > Through CCPTRAJ DSSP analysis we get .gnu file. The plot x-axis range
> >> > [0.000:7002.000], this data separated with xtic values as
> >> > 0,1000,2000,.......7000 (frame numbers) on x axis. While i want to
> >> > change/multiply/transform this frame number into nano second, so
> that my
> >> > x-axis values showed as 0,1,2......14(nano second) after multiplying
> with
> >> > .002. here is some lines of my .gnu files
> >> >
> >> >
> >> > enter code here
> >> >
> >> > set pm3d map corners2color c1
> >> > set ytics 1.000, 1.000
> >> > set ytics("HM1_187.O2D-SER_137.OG-HG" 1.000,"HM1_187.O1D-SER_137
> .OG-
> >> HG"
> >> > 2.000)
> >> > set xlabel "Frame"`enter code here`
> >> > set ylabel ""
> >> > set yrange [ 0.000: 4.000]
> >> > set xrange [ 0.000:7002.000]
> >> > splot "-" with pm3d title "hhhh.gnu"
> >> > 1.000 1.000 1
> >> > 1.000 2.000 0
> >> > 1.000 3.000 0``
> >> >
> >> > 2.000 1.000 1
> >> > 2.000 2.000 1
> >> > 2.000 3.000 0
> >> >
> >> > 3.000 1.000 0
> >> > 3.000 2.000 1
> >> > 3.000 3.000 0
> >> >
> >> > 4.000 1.000 0
> >> > 4.000 2.000 0
> >> > 4.000 3.000 0
> >> >
> >> > 5.000 1.000 1
> >> > 5.000 2.000 0
> >> > 5.000 3.000 0
> >> >
> >> > 6.000 1.000 1
> >> > 6.000 2.000 0
> >> > 6.000 3.000 0
> >> > and so on.
> >> > kindly guide how I can change my x axis tics to nano second rather
> then
> >> > frames numbers. Thanks.
> >> > _______________________________________________
> >> > AMBER mailing list
> >> > AMBER.ambermd.org
> >> > http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >>
> >>
> >> --
> >> -------------------------
> >> Daniel R. Roe
> >> Laboratory of Computational Biology
> >> National Institutes of Health, NHLBI
> >> 5635 Fishers Ln, Rm T900
> >> Rockville MD, 20852
> >> https://www.lobos.nih.gov/lcb
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> -------------------------
> Daniel R. Roe
> Laboratory of Computational Biology
> National Institutes of Health, NHLBI
> 5635 Fishers Ln, Rm T900
> Rockville MD, 20852
> https://www.lobos.nih.gov/lcb
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Wed Jan 10 2018 - 07:30:02 PST
