[gmx-users] Changing temperature and pressure in lipid bilayer simulation.
ducut_melsarose at yahoo.com
Fri Jan 24 00:15:10 CET 2014
So I did the martini tutorial in lipid bilayer. I now have a dspc lipid
What I want to do is to change the temperature and pressure and see the
effect of this on the dspc lipid bilayer.
How should I do this?? Which part of the md.mdp file should I change?
Another question, what if I want to look for the pressure at which most of
the water will be out of the bilayer. And I want to view the extraction of
water from the bilayer. How should I do that?
I'm a new gromacs user so please be kind. LOL. Help is much appreciated.
Thanks in advance.
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