[gmx-users] Re: g_velacc

Vitaly Chaban vvchaban at gmail.com
Tue Feb 1 21:41:45 CET 2011

> I am trying to calculate the Velocity Autocorrelation Function for my
> system using g_velacc. I have system of 128 ionic liquids (128 cations and
> 128 anions). I run the trajectory for 20 ns.  I used following command
> g_velacc -f 3.trr -n emi-etso4-127-no.ndx -s 3.tpr -o
> I selected "system"
> The output file, vac.xvg, have no data.
> Can any one tell why its not wirting.

Insufficient memory?

BTW, what is the size of your TRR file? Hmmm, 20 ns with 128 rather
big particles...

Dr. Vitaly V. Chaban, Ph.D.
Department of Chemistry
University of Rochester
Rochester, New York 14627-0216
The United States of America

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