Re: [AMBER] finding angles

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 12 Mar 2015 21:15:39 -0600

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I notice that your CPPTRAJ is a bit out of date.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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>>
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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)
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Received on Thu Mar 12 2015 - 20:30:02 PDT
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