[gmx-users] VACF

Dallas Warren Dallas.Warren at monash.edu
Tue Sep 27 00:13:22 CEST 2011

You must have a different plot to what you sent then, as that graph shows no decay what so ever, it appears to be essentially constant.  What that means is on that time scale there is no correlation between the velocity at a point in time and any time on the x axis before/previously.

Catch ya,

Dr. Dallas Warren
Medicinal Chemistry and Drug Action
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at monash.edu
+61 3 9903 9304
When the only tool you own is a hammer, every problem begins to resemble a nail.

From: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] On Behalf Of Prema Awati
Sent: Monday, 26 September 2011 9:58 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] VACF

Hello users,
                  I am trying to calculate VACF of cation and anion of [hmim][tf2n] ionic liquid. I am getting some wierd plot which is decaying along the axis. The jpg of this plot has been attached.Please can someone assist me interpret this plot ; I know its simple but am stucked.

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