[gmx-users] hydrogen bonds in water tutorial

Sung Hyun Park parksh at northwestern.edu
Wed Jul 30 16:27:22 CEST 2008


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?

Thanks,
Sung
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080730/bf77f50e/attachment.html>


More information about the gromacs.org_gmx-users mailing list