Re: [gmx-users] Bonds and atom-pairs in g_hbond

Hi, The second set is pairs that are within h-bonding distance but that fails to fulfill the angular criteriion. The text output is hence somewhat misleading. Erik 11 jun 2012 kl. 23.30 skrev Andrew DeYoung: > Hi, > > I am analyzing hydrogen bonds using g_hbond. I have selected two > non-o

[gmx-users] Bonds and atom-pairs in g_hbond

Hi, I am analyzing hydrogen bonds using g_hbond. I have selected two non-overlapping groups; one is hydroxyl groups (OH, where O is the donor and H is the hydrogen), and the other is oxygens on PO4^3- (where F is the acceptor). I am using the switch -noda, which tells the program to take the -r