[gmx-users] g_angle bin centers

Brandon Wiebe Brandon.Wiebe at ufv.ca
Tue Aug 6 21:38:35 CEST 2013


I have a question about the way g_angle centers the bins when it calculates angle/dihedral distributions.  I dug around a bit in the source code and found a comment saying that the bins are centered at start+n*binwidth if you have integer bins, else they are centered at start+(n+0.5)*binwidth. If I am using an integer step for my bins when I call g_angle, which method will be used?


More information about the gromacs.org_gmx-users mailing list