[gmx-users] -dt

[XAvier Periole]

-dt will define the frequency of analysis that a program will do. 

In the cases you mention (time step = 4 fs) the program is using the frames according to -dt you give and their availability in the trajectory. 

On Jun 30, 2010, at 11:01, leila karami <karami.leila1 at gmail.com> wrote:

> Hi gromacs users
>  
> I want to know what is purpose of -dt flag in most of commands? in my analysis, different values for -dt
> results in outcomes have not determined trend .
>  
> I used this flag for g_rms as follows :
>  
> if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 5.xvg  -dt 5   so :
>  
> gromacs record output every 20 ps
>  
> if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 10.xvg  -dt 10  so :
>  
> gromacs record output every 20 ps
>  
> if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 15.xvg  -dt 15  so :
>  
> gromacs record output every 60 ps
>  
> if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 20.xvg  -dt 20  so :
>  
> gromacs record output every 20 ps
>  
> if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 25.xvg  -dt 25  so :
>  
> gromacs record output every 100 ps
>  
> if   g_rms -f pr.xtc -s pr.tpr -n pr.ndx    -o 30.xvg  -dt 30    so :
>  
> gromacs record output every 60 ps
>  
>  
> in my simulation [ 1 frame = 4 ps ]
>  
> any help will highly appreciated.
>  
>  
> -- 
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