[gmx-users] g_msd query

Anirban Ghosh reach.anirban.ghosh at gmail.com
Thu May 19 11:58:21 CEST 2011


I am trying to calculate the lateral diffusion coefficient of a protein in a
bilayer (CG simulation using MARTINI FF). The simulation length is 5
micro-seconds. I wanted to know based on what should i set the values of
-beginfit and -endfit and also the value for -trestart. Is it necessary to
set -trestart?
Thanks a lot in advance.


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