[gmx-users] g_analyze error bar
jalemkul at vt.edu
Wed Apr 17 01:05:08 CEST 2013
On 4/16/13 4:47 PM, Ahmet yıldırım wrote:
> First column is time, second is rmsd value and third column is 0.
> 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
> 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 A. Lemkul, Ph.D.
>> Research Scientist
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu | (540) 231-9080
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> Ahmet Yıldırım
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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