Hi, I have a box with 2 proteins in them. 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 I'm 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'll really appreciate some help on this. Kind Regards, Chinnu -- View this message in context: http://gromacs.5086.x6.nabble.com/Adding-charges-to-a-protein-to-observe-interaction-tp5010351.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
