Dear gromacs users, I am performing united atom simulations of a hydrophobic drug and its ligand with 53a6 ff. Should I instead choose an all atom force field in order to reproduce all the protein-drug interactions for accuracy?
Thank you in advance. Regards, Revathi -- 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