Parameters for metals are readily available in various forcefields in Gromacs. If your nanoparticles are gold spheres suspended freely in the system, then you can just get the parameters from from the forcefield files and specify the number of gold atoms in the topology file.
On Wed, May 21, 2014 at 9:34 PM, guhansingh <guhansi...@gmail.com> wrote: > Dear sir, > I need to simulate gold nanoparticles (*NP*) interaction with some ligands > (drugs). I can get ligand topology via ATB/ Prodrug server, but I can't get > nanoparticle topology. Is there any external tools for *NP* modelling and > topology generation.? Any other modifications to simulate metal atoms via > GROMACS.? > Thanks in advance > > -- > Guhan.KA > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
