Nima Soltani <nima.slt@...> writes:
> I really appreciate your time that you spend helping me Justin > the starting structure looks like this: > https://www.dropbox.com/l/qGSSN0MRJKUtJronECThnn > and the topology of the *metal* is: > https://www.dropbox.com/l/c0Cp7RUeuaoDGS7aSuk1Sn In fact this topology needs some little corrections GOLD should be replaced with SILV that is : https://www.dropbox.com/l/55rPP9bm78F5Mq3HSYHgQo :-) > > AGSS are atom types of surface ag atom > AGBB bulk atoms > AGII some virtual atom types on the surface > AGCC Charge associated with Drude Oscillators (connected to every AGBB & > AGSS through constraint) > > -Nima > -- 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.
