Hi Justin, The simulation is running fine for this task. There's something additional I want to do and I'd like to know how you'd approach it. I want to add charges to each of the protein so that I can observe how the respective protein interacts with their respective charge cloud. The proteins im using are 2CDS.pdb and 1AKI.pdb from the RCSB bank.
>From what I figured, I tried using genion under the impression that I could replace the solvent molecules with CL ions but I don't think this worked. I'd really appreciate it if you could share your thoughts on this Chinnu -- View this message in context: http://gromacs.5086.x6.nabble.com/topology-and-coordinate-file-not-matching-after-grompp-tp5010221p5010334.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
