[gmx-users] g_rms & g-rmsd
tsjerkw at gmail.com
Sat Mar 19 13:16:42 CET 2011
Hi Mohsen. These programs calculate quite different things. Please read
their manpages. Read them better if you already read them once ;)
On Mar 19, 2011 12:16 PM, "mohsen ramezanpour" <ramezanpour.mohsen at gmail.com>
I have a trajectory(.xtc) and its corresponding .tpr file:
I used the following commands separately but the results were
g_rms -f trajectory.xtc -s structure.tpr -n index.ndx -o
I choosed group number 12 (drug in pulling problem) for two choose
g_rmsdist -f trajectory.xtc -s structure.tpr -o
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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