I have questions about your work: 1-I see previous your posts , do you have equlibrium structure of gold nanoparticle?
2- about nanoparticle, gold atoms at surface have difference behaviour of internal atom?? do you idea about it? 3- you include interation of "Au" only with "S" according to GulP force filed is it correct? this work is good for surface not for paticle? 4- you can define new ffag.itp ffag.n2t ffag.rtp for include in your topology,this method is easy. insert new atoms in oplss and define all proper intraction is difficult. if possible for you please send for me your input files (modified force field file) that you need to use it . Maybe I can help to you. my email is: hamid5920...@yahoo.com I done simulation of interation metal surface (Au-ag-ni-pb-pt-al-pd,..) with protein by gromacs and namd, but I want do simulation of metal nanoparticle (full flexible) with protein with copling of two or three softwares. best regards hamid mosaddeghi -- View this message in context: http://gromacs.5086.n6.nabble.com/au-protein-separate-minimization-tp5004700p5004702.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
