[gmx-users] g_velacc

Nilesh Dhumal ndhumal at andrew.cmu.edu
Tue Feb 1 17:49:47 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.


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