[gmx-users] Constraints of distance

[Steven Neumann]

Dear Gmx Users,

I am running CG simulation and I wish my beads to be constraint - one away
from each other of 0.4 nm. I wan to use Lincs for this purpose. I do not
have any bonds in my topology or rtp entry. I just add:

[ constraints ]
1     2      1      0.4
2     3      1      0.4
...
31   32     1      0.4

constraints = none
constraint_algorithm     = Lincs


Is that correct? I used function 1, is that right?

Shall I specify something else?


Steven