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
>
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Received on Wed Jan 10 2018 - 07:00:02 PST
