[gmx-users] The time correlation functions for the orientation of the C-H

[Dallas Warren]

Check Chapter 8 and Appendix D of the manual.

You can use g_analyze to generate an autocorrelation function for any data / property that you can feed it, if there isn't something built into a particular script.

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 intra\sa175950
Sent: Friday, 18 November 2011 9:39 PM
To: gmx-users at gromacs.org
Subject: [gmx-users] The time correlation functions for the orientation of the C-H

Hi GMX users,

I am interesting to compute the tcf of C-H bonds for several surfactants in micelles. Is there a tool in GROMACS to do that ?

Stephane
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