Hello All, I want to create a graphene sheet with a specific dimensions (10*15*0.284) nm.
I created a .gro file as below ( as mentioned in this website https://erastova.xyz/teaching/practical-simulations-for-molecules-and-materials/material-simulations/graphene-simulation-set-up/ ) GRM: 1 1 Rcc=1.420 Rhole=0.000 Center: Ring 4 1GRM C1 1 0.061 0.071 0.000 1GRM C2 2 0.184 0.142 0.000 1GRM C3 3 0.184 0.284 0.000 1GRM C4 4 0.061 0.355 0.000 0.245951 0.426000 0.284000 Now I don't know how to use genconf to repeat it until it gives me the required dimensions. As using genconf -nbox will repeat the above into a specific number of boxes but I can't get a sheet with accurate dimensions of (10*15*0.284 nm). I tried to generate a sheet using gencong and then use editconf to change the dimensions to the required ones, but the problem is that using editconf will put the graphene sheet in an empty box but will not change the dimension as I want. Another option is to divide the 10 (the required dimension) nm by 0.245951 (the dimension in the above .gro file) and to use the genconf with the result but it will be a lot of decimals and I am not sure if it will also give me the accurate dimension. Can anybody help me or guide me how to solve that problem. Thanks, Mohamed -- 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.
