which version fo you use?
On Mon, Jul 20, 2015 at 8:28 AM, Ganesh Shahane <[email protected]> wrote: > Dear Gromacs Users, > > I have performed a simulation of a POPC+Cholesterol bilayer. I wish to know > the diffusion constant of a particular cholesterol molecule. Towards this, > I performed a g_msd using the command as follows- > > g_msd -f 30chol.xtc -s prod.tpr -lateral z -endfit 800000 -n index.ndx -mol > chol.xvg > > where index.ndx contains a single index for the cholesterol atoms in > question. In the end, I got 2 different values of diffusion constant, with > one of them being displayed on the terminal screen and the other value in > the chol.xvg file. > > Does anyone have any idea as to which value should be taken as the value of > diffusion constant? Any help would be appreciated. Thank you! > > -- > Best Regards, > Ganesh Shahane > -- > 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 [email protected]. -- 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 [email protected].
