[gmx-users] suspension of colloids in GROMACS

CARDELLINI ANNALISA d021974 at polito.it
Thu Oct 22 16:17:11 CEST 2015

Dear gromacs users,
In one project, I have to do some coarse grained molecular 
dynamics (CGMD) simulations of nano-colloids (inorganic 
particles 100-150 nm, 3%wt max very dilute) by using soft 
potentials (e.g. DLVO) and implicit solvent (Brownian 
dynamics or fluctuating hydrodynamics).
1) I am wondering if GROMACS is the right tool for that... 
I mean, in principle, it should be possible but is there 
explicit support for colloidal simulations? How can we 
introduced a proper force field for particles 

2) Do you know someone in the GROMACS team doing colloidal 
simulations? Anyone else in the World?
Your help would be highly appreciated.
Best regards,

Annalisa Cardellini, M.Sc.
Ph.D. student

E-mail: annalisa.cardellini at polito.it
SMaLL: http://www.polito.it/small

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