Dear All, I am starting to use amber03 force field, but I have found something very strange for proper angle dihedral.
On the basis of definition of proper dihedral function in AMBER and GROMACS manual I aspect that the following conversion from amber to gromacs: k_n(GROMACS)=4.18/k V_n (AMBER) where n= multiplicity. If I compare ffbonded.itp file in ffamber03 folder and the parameter reported in amber I find something very strange and I do not understand what it is right: AMBER: X C CN X -- Elisa Frezza Ph.D. Student in Materials Science and Engineering Dipartimento di Scienze Chimiche Università di Padova via Marzolo, 1 35131 Padova - Italy Phone: +39 049 827 5149 Skype: elisa.frezza Emai: elisa.fre...@gmail.com elisa.fre...@studenti.unipd.it -- 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