[gmx-users] HB lifetime
nidhikatyal1989 at gmail.com
Thu Mar 29 18:47:04 CEST 2012
I would like to know the strength of the given bond by calculating the
lifetime of that bond.For the same reason i used:
g_hbond -f *.xtc -s *.tpr -ac *.xvg -temp 300 -num *.xvg -life *.xvg
and i got:
Type Rate(1/ps) Time(ps) ...
Forward -0.182 -5.495
Note that the lifetime obtained in this manner is close to useless.Use the
-ac option instead and check the forward lifetime.
Will it be correct to say that lifetime is -5.495ps (looking at forward
time)? But then what does negative lifetime implies?
Thanks in advance.
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