Dear sir,
Here I would like to get some info
about calculating hydrogen bonding. I am simulating bilayer
system and interested in calculating hydrogen bonding. I use
command "hbond distance 4.0 angle 120.0 out HB_highLyo.tbl"
Lately I came to know that I have to take the PBC condition
into consideration while calculating hydrogen bonding. May I
know is there any special command to use for considering
PBC?
Thanks in advance.
Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
Malaysia
vjramana.gmail.com
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Received on Tue Sep 06 2011 - 03:30:02 PDT
