[gmx-users] Re: g_velacc

[Vitaly Chaban]

> 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...


Cheers.
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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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