[gmx-users] How the angle/bond length changes during simulation.

Justin Lemkul jalemkul at vt.edu
Wed Mar 9 16:12:10 CET 2016



On 3/9/16 10:11 AM, Dawid das wrote:
> 2016-03-09 16:07 GMT+01:00 Justin Lemkul <jalemkul at vt.edu>:
>
>>
>> You are.  That's what -all is for:
>>
>> "Plot all angles separately in the averages file, in the order of
>> appearance in the index file."
>>
>> Open up angaver.xvg and you will see the average, then the two individual
>> time series.
>
>
>
> Than something does not work for me, because what I get is:
>        -180    0.027099
>        -179    0.025099
>        -178    0.023980
>        -177    0.022160
>        -176    0.019040
>        -175    0.016480
>        -174    0.016160
>
> and so on
>

That must be angdist.xvg because that is a distribution, not a time series.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
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University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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