[gmx-users] g_velacc

Nilesh Dhumal ndhumal at andrew.cmu.edu
Thu May 26 04:21:09 CEST 2011


I am trying to calculate the velocity autocorrelation function of OH bond
in glucose molecule.

The calculate velocity autocorrelation function is not smooth. Its
fluctuating a lot so I am geting wide/think line.

Why I am not geting a smooth line?

I am using gromacs version 4.0.7.



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