[gmx-users] Constraints of distance

[Justin Lemkul]

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

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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