[gmx-users] Adjust time intervals

[Peter C. Lai]

In the .mdp file what is nstenergy set to?

On 2012-03-25 04:37:59PM +0430, afsaneh maleki wrote:
> Dear users,
> 
> 
> When I got "total energy.xvg" file for plotting total energy via time,
> data haven't saved in order time intervals. What command can control
> time intervals in .mdp for .edr file? To better understand I pasted
> some text from "total energy.xvg" file. As you see, time intervals
> aren't same.
> 
> @ s0 legend "Total Energy"
>     0.000000  -274454.750000
>    12.420001  -274884.187500
>    18.060001  -274532.343750
>    20.000000  -274475.437500
>    29.360001  -275739.562500
>    35.000000  -274441.937500
>    40.000000  -274463.156250
>    46.280003  -273342.250000
>    51.920002  -273099.718750
>    57.580002  -274429.250000
>    60.000004  -274844.062500
>    68.860001  -273905.093750
>    74.500000  -273988.812500
>    80.000000  -276057.625000
> 
> Thanks very much in advance
> Afsaneh
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Peter C. Lai			| University of Alabama-Birmingham
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