Re: [gmx-users] CG lipid diffusion coefficient

2019-04-01 Thread Peter Kroon
Dear Yasser, A factor of 100 is kind of a lot indeed, and should prompt further investigation. What phase (gel, liquid disordered, ...) is your bilayer in? Is it homogeneous? Is it the same as the phase for your reference value? The 2009 paper probably uses a different mapping scheme/topology

[gmx-users] CG lipid diffusion coefficient

2019-03-29 Thread Yasser Almeida Hernández
Hi all, I ran some CG simulations of a protein inserted in a lipid bilayer, with several lipids. I used the msd tool to compute the lipid (using the PO4) diffusion coefficient. For one of the lipid I got D = 0.6 x 10^-5 cm^2/s, which is 600 um^2/s. According to the Martini website "To