What's the sum of the second column? Mark
----- Original Message ----- From: OZGE ENGIN <[EMAIL PROTECTED]> Date: Friday, February 15, 2008 9:46 am Subject: Re: Re: [gmx-users] still got the problem with the output of g_cluster To: gmx-users@gromacs.org > Hi Mark, > > You are right. While I am writing,most of the things in my mind > are lost :) > > The actual command line is: > > g_cluster -s .tpr -f .xtc -dist > > and it gives a output file named rmsd-dist.xvg. In the first > column, the rmsd values are written. However, I can not > understand the values in the second column, the title of second > column is only indicated. No explanation has been made in the > manual. > > The frame number is 3000. One of the numbers on that column > exceeds that value. > > -----Original Message----- > From: Mark Abraham <[EMAIL PROTECTED]> > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Date: Fri, 15 Feb 2008 09:11:55 +1100 > Subject: Re: [gmx-users] still got the problem with the output > of g_cluster > > OZGE ENGIN wrote: > > Hi all, > > > > I have still got the problem with the second column of the > output of g_cluster with -dist option. Xavier said that the a.u > stands for arbitrary unit and I think it gives the histogram of > rmsd value distribution. If so, I can not understand why the > total of this column is not equal to the total number of > conformations obtained from the simulation. > > Well, what is it equal to? How many frames are you using, what > are your > actual command lines? Can you provide a short excerpt of the > .xvg file? > > Please consider the point of view of the people of whom you're > asking > such a question. Unless they're actually fluent with the code > and useage > of g_cluster, they don't have the answer at their fingertips. > However if > you give them useful information, they might be able to see > things that > you can't. If you don't provide useful information, then even > users who > do have the answer at their fingertips might decide you're not > worth > their time :-) > > Mark > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > > > Ozge Engin > ================================= > Computational Science & Engineering > Koc University > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
