[gmx-users] Constraints of distance
jalemkul at vt.edu
Tue Jun 11 12:59:07 CEST 2013
On 6/11/13 6:30 AM, Steven Neumann wrote:
> 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?
Is there a reason you suspect a problem? Have you tried it or are we just
checking your work? Giving it a shot is going to be a lot faster than waiting
for an email :)
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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