[gmx-users] g_hbond index
hmkvsri at gmail.com
Wed Dec 19 15:37:43 CET 2012
While using g_hbond, does it make any difference if I give option
18 and 1 or 1 and 18?
I wanted to find the hydrogen bonding of a group of residues with
the whole protein so I had an index of this group. When I give the
option as 18 (index number) and 1 (whole protein), I get several
"Hm. This isn't the first time I found this donor (...,...)"
But later it does calculates. does this mean that it is double counting
More information about the gromacs.org_gmx-users