> I use ptraj to analyze hbond, but I can't understand the mannual fully, my script is as follows, but it doesn't work, maybe I made a mistake, thank you for your help.
> trajin nptmrna1.dcd 1 600 50
> donor :70.OG print
> acceptor :115.N6 :115.1H6 print
> hbond donor :70.OG acceptor :115.N6 print series hbond
Happy New Year; you only need to list the donor/acceptor outside of the
hbond command itself...
prnlev 5
donor :70.OG
acceptor :115.N6 :115.1H6
prnlev 1
hbond series hbond out hbond.out
--tec3
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Received on Mon Jan 04 2010 - 09:30:02 PST
