[gmx-users] g_rms -prev option .. strange behaviour

Berk Hess gmx3 at hotmail.com
Thu Aug 8 13:23:19 CEST 2002


> >> Well...
> >> -prev is an int option which is the number of frames, not picoseconds.
>
>Yes, that is why there was a value of 50 (frames) which times 10 ps steps
>gives 500 ps difference, or to say it the other way round, 50 frames is
>what should be correct. But the result is not.

If your trajectories are exactly 500 ps you have 51 frames, so you should 
use
-prev 51

>
>So what I am saying is that in my opinion the -prev option is not working
>properly, and I wonder whether anybody can confirm (or not) this.

Last time I tried it it worked fine.

Berk.







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