[gmx-users] make a rigid nanoparticle (internally freeze body while it can move as a rigid body )

Mark Abraham mark.j.abraham at gmail.com
Tue May 22 17:23:50 CEST 2018


This cannot be done with GROMACS, there is no general support for rigid
body motion.


On Tue, May 22, 2018 at 5:15 PM Samieegohar, Mohammadreza <
mohammadreza.samiee at howard.edu> wrote:

> Hi
> I need to make a rigid Gold nanoparticle to run a coarse grained
> simulation. my gold nanoparticle will penetrate in a lipid membrane
> I have built the initial structure by Material studio. This nanoparticle
> must be a internally freeze body while it can move as a rigid body
> My question is , how can I make a rigid particle in Gromacs ? the particle
> should move as whole body in all directions while all of the atoms are fix
> Thanks
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