Nilesh Dhumal wrote:
How can I make prog. to read all frames.
I already answered this. Use a proper setting for -acflen.
-Justin
On Thu, February 24, 2011 2:34 pm, Justin A. Lemkul wrote:
Nilesh Dhumal wrote:
Hello,
I am calculating dipole autocorrelation function for my system.
I run the simulation for 500ps and the plot of dipole autocorrelation
function shows the results for 250 ps.
I used the following command
g_dipoles -f water.trr -s water.tpr -c -corr total
Can anyone tell whats the problem.
This is the expected behavior. See g_dipoles -h, especially the -acflen
flag.
-Justin
I am using Gromacs VERSION 4.0.7 version.
Thanks
NIlesh
--
========================================
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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