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
vac.pdf
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