[gmx-users] HBlife time

Nilesh Dhumal ndhumal at andrew.cmu.edu
Fri Jul 3 16:03:07 CEST 2015

Dear Gromacs Users,

I am calculating hydrogen bond life time for water system. I have 128
water molecules in the system. The program scan the HB criteria for each
OH bond with the   rest 127 oxygen (128*128).
For single OH bond I have calculated the HB lifetime. If there are more
than 1 HB how does the program take care of all hydrogen bond for
calculating HB lifetime?
Does it calculate for each OH bond and take the average over the number of



More information about the gromacs.org_gmx-users mailing list