[gmx-users] g_velacc

[Florian Dommert]

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On 02/01/2011 05:49 PM, Nilesh Dhumal wrote:
> Hello,
> 
> 
> 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.

Perhaps you have not velocities stored in your trr file or the index
file is empty.

/Flo

> 
> Thanks
> Nilesh
> 
> 
> 
> 


- -- 
Florian Dommert
Dipl.-Phys.

Institute for Computational Physics

University Stuttgart

Pfaffenwaldring 27
70569 Stuttgart

Phone: +49(0)711/685-6-3613
Fax:   +49-(0)711/685-6-3658

EMail: dommert at icp.uni-stuttgart.de
Home: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert
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