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 <[email protected]> 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" < > [email protected]> 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 > > > > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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