Dear Sir,
Sorry for the incomplete message lines.
I am trying to get the angle between lipid chain vector and Z-axis of
periodic box.
For testing purpose I am trying on only one frame and one lipid.
cpptraj topology <<EOF
trajin reImaged-bcmLyo25perR.nc 15001 15001
vector v1 principal z
vector v2 :1.C50 :1.C80
vectormath vec1 v1 vec2 v2 out vectorTimesdat name chainAngle dotangle
EOF
But I get error as below:
CPPTRAJ: Trajectory Analysis. V14.17
___ ___ ___ ___
| \/ | \/ | \/ |
_|_/\_|_/\_|_/\_|_
Reading '../../../TRAJ/to-bcmLyo25perR/bcmLyo25perR.prmtop' as Amber
Topology
INPUT: Reading Input from STDIN
[trajin ../../../TRAJ/to-bcmLyo25perR/reImaged-bcmLyo25perR.nc 15001
15001 ]
Reading '../../../TRAJ/to-bcmLyo25perR/reImaged-bcmLyo25perR.nc' as
Amber NetCDF
[vector v1 principal z ]
VECTOR: Type Principal X, mask [*]
Error: [vector] Not all arguments handled: [ z ]
1 errors encountered reading input.
TIME: Total execution time: 0.0568 seconds.
vijay.micelle:~/Simulation/chapter6-lyo-paper3-Vj/lyo-Analysis2/struc-10-tail-to-Z-angle-distribution/Chain-Angle-distribution-betaLyo25perR$
Thank you.
On Thu, Mar 12, 2015 at 11:20 PM, Daniel Roe <daniel.r.roe.gmail.com> wrote:
> Hi,
>
> On Thu, Mar 12, 2015 at 8:00 AM, Vijay Achari <glycoamber.gmail.com>
> wrote:
> > *vector v1 principal z vector v2 :1.C50 :1.C80vectormath vec1 v1
> vec2
> > v2 out vectorTimesdat name chainAngle dotangle*
> > But I get error.
>
> Your input is mangled - seems like your newlines are not making it to
> your email. Make sure you're sending everything in plain text mode.
> Also, don't just say you got an "error" - actually report the *exact*
> error message, otherwise our chances of effectively helping you are
> slim.
>
> -Dan
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 307
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
>
> _______________________________________________
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>
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Received on Thu Mar 12 2015 - 18:30:02 PDT
