Dear All users
I am doing an npt simulation(300 k and 1 bar, confined system in y
direction and united atom ff).
I want to calculate mass density of decane molecules in y direction ,
I use this
command in input and I have a problem
with group command. Can I be sure that this command can calculate the
mass density,
2 is related to ch2 groups and 3 is related to ch3 groups,
Dear All users
I am doing an npt simulation(300 k and 1 bar, confined system in y
direction and united atom ff).I want to calculate mass density of decane molecules in y direction ,
I use thiscommand in input and I have a problem
with group command. Can I be sure that this command can calculate the
mass density,
if you want to be sure, set up a test. that is the scientific
approach. having some random person tell you "yes" or "no" doesn't
make it correct or wrong.
axel.