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.
