[gmx-users] g_rms & g-rmsd

[mohsen ramezanpour]

Dear Dr Tsjerk
Thank you for your notice
I was wrong,I read it again and  understood it now :)
best

On Sat, Mar 19, 2011 at 3:46 PM, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> Hi Mohsen. These programs calculate quite different things. Please read
> their manpages. Read them better if you already read them once ;)
>
> Cheers,
>
> Tsjerk
>
> On Mar 19, 2011 12:16 PM, "mohsen ramezanpour" <
> ramezanpour.mohsen at gmail.com> wrote:
>
> Dear All
>
>
>
> I have a trajectory(.xtc) and its corresponding .tpr file:
> I used the following commands separately but the results were
> different,Why??
>
> g_rms    -f   trajectory.xtc    -s   structure.tpr    -n index.ndx    -o
> rms.xvg
> I choosed   group number 12 (drug in pulling problem) for two choose
>
> g_rmsdist       -f   trajectory.xtc    -s   structure.tpr       -o
> rmsdist.xvg
> I choosed the group number 12
>
> Since I didn't determine the reference for g_rms ,I expect the same
> results,because both of them choose the tpr structure as the reference one.
> Am I right?
>
> Thanks in advance
>
>
>
>
>
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