My problem is the following. I would like to define 2 different bond types in
my system FENE and harmonic. The main problem is that type 1 bonded atoms
(FENE) are close to each other, whereas type 2 bonded atoms (harmonic) are very
far apart. So I would like to assign a different distance cutoff to each bond
type for inter-processor communication purposes, but I didn't succeed.
What I already tried is the following.
- I run on a single processor, but it isn't efficient.
- I also tried to use "communicate single cutoff 250.0". This choice is again
- Then I tried to define 2 different atom types: both type atoms are involved
in bond type 1, but only type 2 atoms are involved in bond type 2. Then I
define two different groups:
group group_1 type 1
group group_2 type 2
So I would like to assign a different distance cutoff to each atom type for
inter-processor communication purposes. Let's say a low value (~2) for type 1
atoms and an high value (~250) for type 2 atoms. So I tried "communicate multi"
command but I was not able to succeed.
Does anybody know how to help me?