[gmx-users] Re: Membrane Equilibration

Neha nshafique at wesleyan.edu
Tue Jun 11 20:04:51 CEST 2013


Hi,

I am using the Martini field for those who wanted to know.

My values for the mdp file for ref_p were inspired from this paper as it
says pressure was coupled anisotropically to 0 bar in all directions. 

http://www.sciencedirect.com/science/article/pii/S0005273611002045

I think I will try to set gen_vel = no and see what happens. If it doesn't
work I will experiment with altering the ref_p values and surface tension
etc. Thank you all for the help!



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