Hi Jason,
Here I give the example reffering to earlier mail.
I marked the white space of z with "_". For example:
vector v1 principal z___
vector v2 :$i.C52 :$i.C61_
vector v3 :$i.C64 :$i.C69__
Below is with out any white space after z
vector v1 principal z
vector v2 :$i.C52 :$i.C61
vector v3 :$i.C64 :$i.C69
Regards
Vijay
On Tue, Mar 17, 2015 at 1:53 AM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Mon, Mar 16, 2015 at 1:49 PM, Vijay Achari <glycoamber.gmail.com>
> wrote:
>
> > HI Dan,
> >
> > The command I used was:
> >
> >
> >
> > for i in {1..128};do
> >
> > cpptraj $top <<EOF
> > trajin $path/reImaged-bcmLyo25perR.nc 15001 60000 #60000
> >
> > vector v1 principal z
> > vector v2 :$i.C52 :$i.C61
> > vector v3 :$i.C64 :$i.C69
> >
> > vectormath vec1 v1 vec2 v2 out
> dataFiles-only/angleZ-chainC12-lipid-$i.dat
> > name AngleZ-C12 dotangle
> > vectormath vec1 v1 vec2 v3 out
> dataFiles-only/angleZ-chainC8-lipid-$i.dat
> > name AngleZ-C8 dotangle
> >
> > EOF
> >
> > done
> >
> >
> >
> > Previously there was white space after z. That's why it showed [z ] in
> the
> > error before. Once the white space fixed, the calculation run fine.
> >
>
> ​What kind of whitespace was it? Was it a carriage return? A tab?
> cpptraj splits argument lists on whitespace. So it's possible that *some*
> whitespace characters (like weird half-DOS-line-endings, tabs, or something
> else?) that *renders* as whitespace could cause this problem.
>
> It would be nice to know what that character was, though, so this problem
> can be fixed.
>
> Thanks,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Mon Mar 16 2015 - 16:00:03 PDT
