*On 2013-06-01 17:11, Marcelo Vanean wrote: * > > *On 2013-06-01 02:24, Marcelo Vanean wrote: > > * >> >> *Hello to everyone. In version 4.5.5, calculating the viscosity with the >> command g_energy -vis, the generated files (eviscoi.xvg, eviscoi.xvg and >> visco.xvg) are inconsistent. The file evisco.xvg, for example, gives a >> value of zero for viscosity using the Einstein relation. Another question >> in 4.0.7, the file eviscoi.xvg is approximately a straight line, whereas >> in >> version 4.5.5 not. Why the Gromacs 4.0.7 gives the result in this way? >> Evidently, there is an inconsistency in these different results. Help me, >> please. >> >> >> * > > *I used the same energy file (ener.edr) and I get this results: > http://help-gromacs.blogspot.com.br/. The files visco.xvg are equals. > > *
*Maybe you can post the energy file on that site as well. Have you tried to compute the pressure autocorrelation (using g_energy)?* I didn't the pressure autocorrelation. A question: what does this analysis tell me? I posted the energy file here: http://www.4shared.com/file/SSAU1reN/ener.html. -- 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
