What do you mean by mutually inconsistent? From what I understand, they
aren't.
Also, [bonds] type 6 won't work for what I want, since I don't want to keep
the molecules at a fixed distance but to prevent them from coming closer,
i.e. I want a potential that depends on the distance between the
João M. Damas wrote:
What do you mean by mutually inconsistent? From what I understand, they
aren't.
I mean a set for which there is no molecular arrangement that satisfies.
Also, [bonds] type 6 won't work for what I want, since I don't want to
keep the molecules at a fixed distance but to
Gromacs users,
I have a small test system of about 2500 atoms which consists on a few
organic molecules in a box of water. I'm trying to use distance restraints
to keep each molecule apart from each other and I've failed until now.
I'll start by saying that the simulation runs smoothly without
3 matches
Mail list logo
