Hi all, I try to reproduce the results from g_angle using my own c++ code. Using the formula
θ=acos(r_ij * r_kj/|r_ij||r_kj|) with the acos from the cmath library, I obtain an angle which is always ~5% larger when the angel calculated by g_angle. Does g_angle use the same formula or does it calculate θ in a different way? All commands a very much welcomed Sebastian -- gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
