Dear Gromacs users , How Can i change lennard-jones wall s location at Z direction ? I use lennard jones wall with these command in mdp file : ... pbc = xy nwall = 2 wall-atomtype = opls_740 opls_740 wall-type = 9-3 wall-density = 50 50 wall-r-linpot = 1 ...
But I get lost atom error , I think it's because of some atoms that are beyond wall ! Can you please let me know How i can change the wall location in system ? Best , Saeed. -- 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.
