Sung Hyun Park wrote:
Dear Gmx-users,
This may be a dumb question, but I am wondering about the number of
hydrogen bonds in the "water" tutorial. The system is 216 SPC/E water
molecules in a box, and the number of hydrogen bonds per time frame
fluctuates around ~350, which gives th number of hydrogen bonds per
water mlecule to be only ~1.6. Isn't this too low, compared with the
typical number ~3.5 for bulk water mlecule?
I think it is SPC, and you can multiply the number by 2 since all HB are
shared between two mols.
Thanks,
Sung
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