[gmx-users] g_hbond

simon sham ssham44 at yahoo.com
Thu Jun 16 23:09:43 CEST 2011


Hi,
To help clarify my previous g_hbond question, I have these two groups in my index file
[ a_100_a_101]      # 100 is N, #101 is H
   100 101
[ a_200 ]                # 200 is O
   200 

when I ran g_hbond, I got "Found 1 donors and 2 acceptors". The part that I don't quite understand is why it says 2 acceptors. Did I set up the groups correctly?

Again, hope this clarifies my question.
Thanks for your insight.

Simon


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