Dear gmx-users, I am trying to build acetic acid protonated form using PRODRG to run a simulation using GROMOS96 forcefield. The information says it can only build acetate ion but not the protonated form of acetic acid.
How can I build acetic acid (protonated form) .itp file compatible to GROMOS96 forcefield. Your help will be appreciated. Best regards, Dr. Sunita Patel --------------------------------------------- Visiting Fellow Department of Chemical Sciences T.I.F.R., Homi Bhabha Road, Colaba Mumbai - 400005 --------------------------------------------- -- 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
