ERROR: The cut-off length is longer than half the shortest box vector
or longer than the smallest box diagonal element. Increase the box
size or decrease rlist.
try to "Increase the box size or decrease rlist." <= as ERROR
message suggests
Yes, technically you could decrease rlist (rcoulomb actually in this
case), but in that case make sure that you know what you are getting
into. I would advise against that unless you are sure that you
understand the implications. I think that this is a particularly
dangerous error message and should be modified in future gromacs
distributions.
PS, I see that you actually do have the line:
pcoupl = berendsen
which I had not seen previously when I said:
WARNING: did you even turn on constant pressure? I think not.
However you have set some variables for constant pressure ... this
is not the same as turning it on. Look at the mdp options for
pressure coupling.
So I was incorrect there.
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