[gmx-users] g_rms & g-rmsd

[Tsjerk Wassenaar]

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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