[gmx-users] Constraints of distance
s.neumann08 at gmail.com
Tue Jun 11 12:30:20 CEST 2013
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?
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