I tried with g_energy -vis , but it calculates using einstein relation. I want to calculate using green kubo equation.
regards, shanu On Tue, Jan 12, 2016 at 12:42 AM, David van der Spoel <sp...@xray.bmc.uu.se> wrote: > On 11/01/16 22:54, shanmuga sundaram wrote: > >> Hello all, >> >> >> I am trying to find viscosity using green kubo relation for Ionic Liquids. >> I got pressure tensor values (pxx, pyy, pzz, ….) from energy file .edr. >> How >> to get stress autocorrelation function (SACF) from pressure >> autocorrelation >> function in MD simulations? Also how to change ACF windows (10, 50, 200ps) >> in getting autocorrelation function from gromacs (usually from g_analyze >> tool)? >> >> try > g_energy -vis > > >> regards, >> >> shanu >> >> > > -- > David van der Spoel, Ph.D., Professor of Biology > Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. > sp...@xray.bmc.uu.se http://folding.bmc.uu.se > -- > 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.
