Hi, My name is Insung Na.
I want to introduce certain dihedral's Ryckaert-Bellemans coefficients to OPLS-AA ffbonded.itp file. For calculation, I found information on that from Gromacs manual-4.5.6 At equation 4.63, the formula contains F1, F2, F3, and F4. It seemed that I need those values to get C0 ~ C5 (Ryckaert-Bellemans coefficients). What are F1, F2, F3, and F4 ? Are those values after calculation of equation 4.35 ? or 4.37 ? or 4.40 ? or 4.46 ? Please let me know what those values stand for. Thank you. -- View this message in context: http://gromacs.5086.x6.nabble.com/What-are-F1-F4-of-Equation-4-63-of-Gromacs-manual-4-5-6-tp5011645.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
