Similar procedure. Give the 'atomicfluct' data set a name, run, then
divide by 10.
-Dan
On Fri, Oct 14, 2016 at 1:15 AM, Saman Yousuf ali
<saman.yousufali64.yahoo.com> wrote:
> Dear Daniel,
> Thank you for help, its really very helpful. Actually, I am plotting rmsd
> and rmsf together via cpptraj. Script is pasted below;
> parm complex.prmtop
> trajin md_complexA.nc
> rms R0 first :1-267.CA,C,N
> run
> R0_in_nm = R0 / 10.0
> write rmsd-complexA.dat R0_in_nm
> atomicfluct out rmsf-complex-new.dat :1-534.CA,C,N byres
> strip :WAT
> strip :Na+
>
> By adding your script, I got rmsd in nm but what changes should I make to
> get rmsf plot in nm as well.
>
>
> Best,
> Saman Yousuf Ali
>
>
>
> On Thursday, October 13, 2016 5:32 PM, Daniel Roe <daniel.r.roe.gmail.com>
> wrote:
>
>
> On Thu, Oct 13, 2016 at 7:27 AM, Saman Yousuf ali
>
> <saman.yousufali64.yahoo.com> wrote:
>> Dear All,Cpptraj rmsd script by default plotted rmsd in angstrom unit. How
>> can we get rmsd plot in nm unit?
>
>
> Divide the values by 10.
>
> rms R0 first .CA
> run
> R0_in_nm = R0 / 10.0
> write R0.dat R0_in_nm
>
> -Dan
>
> --
> -------------------------
> 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
>
>
>
--
-------------------------
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
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Received on Fri Oct 14 2016 - 07:00:03 PDT
