Dear Amber
I tried calculating the hydrogen bond from cpptraj
I am able to do the possible hydrogen bond between the solute residues 1-6
as below
trajin ../md1.mdcrd
center :1-6
image familiar
hbond distance 3.5 angle 120.0 :1-6 out 3.5_nhb.dat avgout 3.5_avghb.dat
but I am not able to do the life time for the same i tried as below
trajin ../md1.mdcrd
center :1-6
image familiar
hbond distance 3.5 angle 120.0 :1-6 out 3.5_nhb.dat avgout 3.5_avghb.dat
series lifetime.data
since the series word should be added with the following file name
not able to get the out file ..
let me know what error I am doing so that it can be fixed
thank you
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Received on Wed Jun 24 2015 - 12:00:02 PDT
