[gmx-users] g_analyze error bar

[Justin Lemkul]

On 4/16/13 4:47 PM, Ahmet yıldırım wrote:
> First column is time, second is rmsd value and third column is 0.
> average.xvg
> 10 0.3123 0
> 20 0.3256 0
> 30 0.3981 0
> 40 0.3512 0
> 50 0.3754 0
> ...
>

I see.  It seems that g_analyze deals well with some files and not others.  If, 
for instance, I analyze a hydrogen bond file (i.e., it has all integers), I get 
a sensible standard deviation.  If I analyze any other file with floating-point 
numbers, I get zeroes.  Perhaps there is some small bug.  In the intervening 
time (i.e. please don't wait around for a fix since this is a really minor 
issue), there are probably many programs that will calculate these quantities 
for you.

-Justin

>
> 2013/4/16 Justin Lemkul <jalemkul at vt.edu>
>>
>>
>>
>> On 4/16/13 4:26 PM, Ahmet yıldırım wrote:
>>>
>>> Dear users,
>>>
>>> g_analyze -f rmsd.xvg -av average.xvg -errbar stddev
>>> Unfortunately, this command didn't produce the error bar
>>> How can I obtain error bar for plotting?
>>>
>>
>> Works fine for me.  Perhaps you're just not plotting average.xvg
> correctly. Import as XYDY.
>>
>> -Justin
>>
>> --
>> ========================================
>>
>> Justin A. Lemkul, Ph.D.
>> Research Scientist
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu | (540) 231-9080
>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>
>> ========================================
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>
>
>
> --
> Ahmet Yıldırım
>

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================