gmx3 at hotmail.com
Wed May 11 12:08:29 CEST 2005
>From: herbst at fhi-berlin.mpg.de
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: [gmx-users] g_analyze
>Date: Wed, 11 May 2005 11:31:53 +0200 (CEST)
>I have a question concerning g_analyze. When I want to calculate the
>correlation function of
>a data set, where do I specify the time step between my values ? The time
>in the first line is obviously the starting time or something, for I
>always get dt=1.
>What do I have to do if I have a timestep of 100ps ?
I assume you are using the option -notime then?
You can not set the timestep in g_analyze.
But you can correct the time in autocorr.xvg afterwards
in for instance xmgr.
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