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
--
========================================
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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