Each md.log has all the information about all replica exchanges, as you can see. I suggested you look at your .log and .xvg files a week ago ;-) There's no problem if a script post-processes all the identical information from each .log file.
Mark On Thu, May 23, 2013 at 9:01 AM, bharat gupta <bharat.85.m...@gmail.com>wrote: > I checked the first 5 md.log files, and the data is exactly the same in all > of them .... Does it mean there could be problem with demux.pl > > > On Thu, May 23, 2013 at 3:53 PM, Mark Abraham <mark.j.abra...@gmail.com > >wrote: > > > Look at those files. Use diff. They're all the same. Your plots are > > probably all showing the first column of each. You want to look at each > > column. (And even then the best it can show is that your simulation is > not > > clearly inadequate.) > > > > Mark > > > > > > On Thu, May 23, 2013 at 8:48 AM, bharat gupta <bharat.85.m...@gmail.com > > >wrote: > > > > > Dear Sir, > > > > > > Thank you for your reply. But I used the command demux.pl md$.log , > > where > > > $= No. of replica. I get the same plot every time. Sorry to ask this , > > but > > > where am I going wrong ?? > > > -- > > > gmx-users mailing list gmx-users@gromacs.org > > > 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 gmx-users-requ...@gromacs.org. > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > -- > > gmx-users mailing list gmx-users@gromacs.org > > 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 gmx-users-requ...@gromacs.org. > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists