[gmx-users] diffusion coefficient

Andrei Neamtu 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 
this message:

Segmentation fault

and the program stops.
Is there any way to solve this problem? (I am using GROMACS 3.1.2)
 Thank you

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