[gmx-users] How the angle/bond length changes during simulation.
Dawid das
addiw7 at googlemail.com
Wed Mar 9 16:14:21 CET 2016
O'right, I found my mistake.
Now it works fine.
Thank you!
2016-03-09 16:11 GMT+01:00 Justin Lemkul <jalemkul at vt.edu>:
>
>
> 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
>
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> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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