[gmx-users] ffoplsaa and sigma/epsilon values

[Derrick Guang Yuh Lee]

dear gmx-users

i am right now attempting to edit the ffolpsaa forcefields non-bonded
parameters to add in a new molecule, specifically a lipid. i am running
gromacs v.3.1.4 and have looked through the manual to find out ways to
calculate  values, to of which i have yet to find something solid. i have
come close w/ section 5.3.3, but it has yet to answer all my questions. if
something could give me some insight, it would be much appreciated. thanks
in advance.


 - derrick


 derrick Lee
 faculty of Science
 Memorial University of Newfoundland
 k24dgyl at mun.ca / derrickglee at hotmail.com

"a teacher is never a giver of truth - he is a guide, a pointer to the
truth that each student must find for himself. a good teacher is merely a
catalyst."
                                                              - bruce lee