Dear All users,
In my simulation box, there are two types of solute (10 molecules of each group) and solvent(1000 water molecules) molecules I want to calculate interaction energies between each solvent group and solvent group. Using group/group command can be a good idea?
Dear All users,
In my simulation box, there are two types of solute (10 molecules of each group) and solvent(1000 water molecules) molecules I want to calculate interaction energies between each solvent group and solvent group. Using group/group command can be a good idea?
There is a very simple way to find out:
Set up a small test system, compute the property of interest by hand, set up lammps to do the same, compare and draw your conclusion.
I feel a bit like a broken record to have to point out such an obvious problem solving strategy over and over again.
Axel, what can I say, maybe you want to hear: that’s my job.
Axel, what can I say, maybe you want to hear: that’s my job.
A sign of feeling very embarrassed would be more adequate. How long are you subscribed to this list? Have you ever seen such a speculative question being answered differently? How many times have you been given this kind of answer?
I am curious what makes you ask even though by now you should have learned what would be coming?
I do not want to go on.