[gmx-users] g_velacc

[Nilesh Dhumal]

Hello,

I am trying to calcualte the velocity autocorrelation function for my
system. I have a system with glucose + ionic liquids (128 emi (cations)
and 128 Cl (anions)).

I am not geting proper velocity autocorrelation function.

 g_velacc -f 6.trr -s 6.tpr -n glu-emi-cl-128-no.ndx -nonormalize  -e 10 -o


Attached the velocity autocorrelation function.


I am using Gromacs 4.0.7 version.


Thanks

Nilesh







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