[gmx-users] About msd and lateral diffussion command

Poncho Arvayo Zatarain poncho_8629 at hotmail.com
Tue Mar 28 18:17:46 CEST 2017

Hello gromacs user: I want to obtain the msd and lateral diffussion for dppc/dppe membranes. I have this command: gmx msd -f file.tpr -s file.xtc -lateral z -rmcomm -beginfit 20000 -endfit 130000 -o msd.xvg <<< 2 3. Where 2 & 3 are dppc and dppe. Wht do you think about my command? It´s ok or is there anything wrong?.

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