On 3/1/13 2:54 AM, Ashalatha Sreshty wrote:
Dear Justin,
I did the same before but didnot get the eigenvectors. I am working on
Gromacs-4.5.4.
The actual command line used is as below
g_anaeig_d -f mlecdig-MD-0-202-noPBC.xtc -s mlecdig-MD-1.tpr -v
eigenvec-mlecdig-2-102.trr -eig eigenval-mlecdig-2-102.xvg -n mlecdig.ndx
-proj proj14.xvg -first 1 -last 4 -b 2 -e 102 -tu ns
However, I didnot get all the four eigenvectors in the output file, but
only consisted of the first eigenvector. Sample lines from the output I
pastign it here for your ready reference:
2.0000 2.89116
2.0050 3.68519
2.0100 2.44595
2.0150 1.92587
2.0200 2.11691
2.0250 1.26153
2.0300 0.98976
2.0350 1.23497
2.0400 1.27905
2.0450 2.31289
2.0500 1.23402
2.0550 2.09228
2.0600 2.20607
2.0650 2.00745
2.0700 2.32700
2.0750 1.98665
2.0800 2.56843
2.0850 2.51773
2.0900 2.86463
Please suggest.
There should be four data sets written to proj14.xvg, separated by ampersands
(&). I have verified that this approach should work; please inspect your output
file carefully.
-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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