Hello Carsten, thanks for replying. Yes, I'm using GMX 4.6.5, so I'm able to see the info in the .xvg file.
Best, --- Biological Chemistry and Physics Faculty of Pharmaceutical Sciences at Ribeirão Preto University of São Paulo - Brazil ----- Mensagem original ----- > De: "Carsten Kutzner" <ckut...@gwdg.de> > Para: gmx-us...@gromacs.org > Enviadas: Sexta-feira, 22 de Agosto de 2014 2:47:40 > Assunto: Re: [gmx-users] Interteting flooding results > > Hi, > > On 21 Aug 2014, at 23:27, Ricardo O. S. Soares <rsoa...@fcfrp.usp.br> > wrote: > > > Dear users, > > > > could anyone give me some general guidelines or links to help me > > interpret the essential dynamics/flooding output xvg file from a > > flooding simulation? > That depends a bit on which Gromacs Version you are using. If you are > using > a 4.6 or later version, look in the header of the .xvg file, there > should be > a short explanation about what is written to each column of the file. > What columns are printed depend on what is switched on in your .edi > file. > > Best, > Carsten > > > > I followed Spiwok's tutorial > > (http://web.vscht.cz/~spiwokv/mtdec/index.html) and Langer's paper > > (http://onlinelibrary.wiley.com/doi/10.1002/jcc.20473/full) . > > > > Thanks, > > > > > > > > > > > > --- > > Biological Chemistry and Physics > > Faculty of Pharmaceutical Sciences at Ribeirão Preto > > University of São Paulo - Brazil > > -- > > Gromacs Users mailing list > > > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users > > or send a mail to gmx-users-requ...@gromacs.org. > > > -- > Dr. Carsten Kutzner > Max Planck Institute for Biophysical Chemistry > Theoretical and Computational Biophysics > Am Fassberg 11, 37077 Goettingen, Germany > Tel. +49-551-2012313, Fax: +49-551-2012302 > http://www.mpibpc.mpg.de/grubmueller/kutzner > http://www.mpibpc.mpg.de/grubmueller/sppexa > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.