Oh, if I use a special_bond lj 0 0 1
Do I need to use a pair style again?
I get the same error but when I add a coul/ cut the code is fine
Oh, if I use a special_bond lj 0 0 1
Do I need to use a pair style again?
this doesn't make much sense to me. the special_bond setting is very
different from defining a pair_style.
without a pair_style atoms in different molecules will not "see" each other.
I get the same error but when I add a coul/ cut the code is fine
it is very difficult to discuss such matters with only fragmented
knowledge of your inputs.
my guess is that you would be indeed defining a pair style in this case.
however, using only coul/cut by itself will likely produce bogus
results and crashes.
perhaps you should first try a simpler simulation without any bonds at
all and see, if you can get that to work correctly and producing
correct results.
axel.
Yes, you are right like always.thanks