John Shultz wrote:
How come time is always 0.0000000
You're analyzing a .gro file, so there is no time information stored. If you
analyze a trajectory (i.e., .xtc or .trr), then the time is saved in the
individual frames.
-Justin
On Tue, Mar 9, 2010 at 8:16 AM, Justin A. Lemkul <jalem...@vt.edu> wrote:
John Shultz wrote:
Hello,
I am seeking clarification on what this output means. I believe it
says that the x axis is divided into 4 time intervals and they are
plotted against a y axis that measures total distance along all 3
dimensional coordinates.
Am I reading this correctly?
There should be no decomposition of time intervals here. Distance is
plotted continuously as a function of time. The first column is time, then
the total distance, then each of the x, y, and z components of that
distance.
-Justin
# This file was created Sat Jan 30 00:20:03 2010
# by the following command:
# g_dist -f md.gro -s md.tpr -n index.ndx
#
# g_dist is part of G R O M A C S:
#
# Glycine aRginine prOline Methionine Alanine Cystine Serine
#
@ title "Distance"
@ xaxis label "Time (ps)"
@ yaxis label "Distance (nm)"
@TYPE xy
@ view 0.15, 0.15, 0.75, 0.85
@ legend on
@ legend box on
@ legend loctype view
@ legend 0.78, 0.8
@ legend length 2
@ s0 legend "|d|"
@ s1 legend "d\sx\N"
@ s2 legend "d\sy\N"
@ s3 legend "d\sz\N"
0.0000000 0.0619448 0.0583303 0.0099401 -0.0183282
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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