Hi GMXers I'm trying to use in my simulations the nitrate ion defined in OPLS (ffoplsaa.atp) force field as atom-types opls_787 and opls_788, but when I look at OPLS bonded parameters in ffoplsaabon.itp I can't find bonds, angles or dihedral parameters with it's bond_type (N and O as defined in ffoplsaanb.itp). Are these bond_types correct? If yes, where are the bond parameters for them? Does anybody know the paper where these parameter were published?
Thank's -- Alexandre Suman de Araujo [EMAIL PROTECTED] UIN: 6194055 IFSC - USP - São Carlos - Brasil _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
