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 <[email protected]>
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
========================================
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