Re: [AMBER] finding angles

From: Vijay Achari <glycoamber.gmail.com>
Date: Fri, 13 Mar 2015 11:40:49 +0800

OK,

Let me update the cpptraj and test it again.
Vj

On Fri, Mar 13, 2015 at 11:15 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> On Thu, Mar 12, 2015 at 7:24 PM, Vijay Achari <glycoamber.gmail.com>
> wrote:
> > [vector v1 principal z ]
> > VECTOR: Type Principal X, mask [*]
> > Error: [vector] Not all arguments handled: [ z ]
>
> That's weird - when I run the same command I get:
>
> > vector v1 principal z
> VECTOR: Type Principal Z, mask [*]
>
> I notice that your CPPTRAJ is a bit out of date. Try updating to the
> latest version (14.25) and see if that helps. Also make sure all of
> your cpptraj test cases are passing.
>
> -Dan
>
> > 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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>
>
> --
> -------------------------
> 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)
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Mar 12 2015 - 21:00:02 PDT
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