[gmx-users] diffusion coefficient
necor at iasi.mednet.ro
Thu Apr 4 12:35:18 CEST 2002
Hi GROMACS users,
I am trying to do some simulations on a lipid bilayer of DPPC. Besides
other parameters, I must calculate the diffusion coefficient of DPPC
molecules in the membrane plane. I am using for this the g_msd program but
it is unclear to me what exactly -trestart stands for and what is the
change in algorithm when I use this option?
Another problem is that when I am trying to use the -trestart option I get
and the program stops.
Is there any way to solve this problem? (I am using GROMACS 3.1.2)
More information about the gromacs.org_gmx-users