Thank you Mark and Francesco. I will be pleased to contribute with a fix in case I come up with a fairly general solution for this issue.
Best regards, João Henriques On Thu, Apr 4, 2013 at 7:45 PM, Mark Abraham <mark.j.abra...@gmail.com>wrote: > Demux.pl pre-dates .cpt and -append. The only solution is to preserve your > .log files (e.g. with -noappend) and post-process. If you do that by > modifying demux.pl, please consider contributing your fix back. > > Mark > On Apr 4, 2013 1:42 PM, "francesco oteri" <francesco.ot...@gmail.com> > wrote: > > > if your -append option is activated (the default is yes), > > maybe Demux.pl reads the exchanging from the .log taking into account the > > time in the > > log and so you don't need to do anything. > > But I don't know how Demux.pl works :( > > > > Francesco > > > > 2013/4/4 João Henriques <joao.henriques.32...@gmail.com> > > > > > That's terrible! I was just about to restart 2 hefty REMD > simulations... > > > Maybe I can move the original log files somewhere and combine them with > > the > > > restart ones afterwards by using a script. It's just an idea, because I > > > need to run Demux.pl on the final concatenated log file. > > > > > > Any other issues I should be aware of? > > > > > > Best regards, > > > João Henriques > > > > > > > > > On Thu, Apr 4, 2013 at 12:18 PM, francesco oteri > > > <francesco.ot...@gmail.com>wrote: > > > > > > > This is what I meant, > > > > in particular it is a problem when I want to analyze > > > > the data regarding the exchange probability. > > > > > > > > Francesco > > > > > > > > 2013/4/4 João Henriques <joao.henriques.32...@gmail.com> > > > > > > > > > So let me see if I understood what Francesco said correctly. > > > Restarting a > > > > > REMD job after hitting the cluster wall-time limit resets the > > > information > > > > > stored in the log files? Can someone shed some light on this > subject? > > > > > > > > > > Best regards, > > > > > João Henriques > > > > > -- > > > > > 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 > > > > > > > > > > > > > > > > > > > > > -- > > > > Cordiali saluti, Dr.Oteri Francesco > > > > -- > > > > 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 > > > > > > > > > > > > > > > > -- > > > João Henriques > > > -- > > > 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 > > > > > > > > > > > -- > > Cordiali saluti, Dr.Oteri Francesco > > -- > > 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 > -- João Henriques -- 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