[gmx-users] metal nanoparticles

Nima Sa nimavaeesa at yahoo.com
Thu Jul 2 11:45:10 CEST 2015

Hi,Dear users and JustinI want to perform MD simulations on gold nanoparticles and have a couple of questions to ask. For example I want to equilibrate a gold nanoparticle in a box of solvent. As I went through the existing data on the Internet I found nothing on this issue. Now, Is Gromacs capable of doing this? Which force field should I use for the metal nanoparticles? If Gromacs is unable to do this, Is there another software that can do this? It seems that OpenMD can do this (Please see Building and equilibrating a gold nanoparticle in OpenMD « OpenMD. Is it OK to use this code for this purpopse?Thank you very much.

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