[gmx-users] HBlife time
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
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