Re: [gmx-users] reading velocity in the g_msd routine

2010-05-18 Thread Amit Choubey
On Tue, May 18, 2010 at 2:00 PM, Gaurav Goel wrote: > Hello gmx-users users :) > > I am modifying the 'g_msd' utility to be able to calculate viscosities > using the corresponding Einstein relationship according to equation > 3.14 in Helfand E., Physical Review, 119, 1, 1960. The equation is > sim

[gmx-users] reading velocity in the g_msd routine

2010-05-18 Thread Gaurav Goel
Hello gmx-users users :) I am modifying the 'g_msd' utility to be able to calculate viscosities using the corresponding Einstein relationship according to equation 3.14 in Helfand E., Physical Review, 119, 1, 1960. The equation is similar to the mean-square displacement equation for self-diffusion