Tomy van Batis wrote:
Dear all
I have a system consisting of 2 substrates (20 nm distance between them)
and inside them there are polymer chains. I would like during my NVT
simulations the substrates NOT to move (I suppose I have to put the
velocity of the COM of it's substrate to be zero).
Does anyone know how to do that?
The simplest way is to just use position restraints. The positions may change
very slightly, but not a noticeable amount.
If you absolutely require no movement at all, use freezegrps in the .mdp file.
-Justin
Thanks in advance
Chrysostomos
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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