Dear all,
Could anyone please help me with simulation of a box containing water and oil?
Is this possible to run a simulation for a box without any macromolecules?
If yes, do I need to change the mdp files?
Many thanks in advance.
http://www.mdtutorials.com/gmx/biphasic/index.html
.mdp contents are largely a function of the force field used (appropriate nonbonded and constraint settings) and the rest is rather boilerplate for the most part.