[gmx-users] Make a rigid Nanoparticle
    Samieegohar, Mohammadreza 
    mohammadreza.samiee at Howard.edu
       
    Thu May 31 16:33:19 CEST 2018
    
    
  
Hi
I am trying to make a completely rigid Au nanoparticle with harmonic potential bond and angle
I am using a very big harmonic constant and still there is a small vibration in nanoparticle atoms
Do you have an idea about how can I fixe the atom totally as rigid body?
I do not want to use freeze them because my nanoparticle should move as a rigid body .
Also I have another question :
How can I make van der waals interaction zero between the nanoparticle atoms in coarse grained martini?
Thank you
    
    
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