[gmx-users] suspension of colloids in GROMACS
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.
Annalisa Cardellini, M.Sc.
E-mail: annalisa.cardellini at polito.it
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