Dear Sir/Madam,
I would like to calculate the lifetime of hydrogen bonds in hydrated lipid
bilayer system.
I am interested to calculate 1) lipid-water HB lifetime and 2) lipid-lipid
HB lifetime.
When I look at the manual there is a command called *lifetime* (pg 556
AMBER 14) but I am not so sure how to use it.
I don't understand the meaning of <*dsetarg0*> file. despite it is saying
about data file. But which data file and how to obtain this file?
Anyway I tried something like below:
cpptraj topology << EOF
*lifetime out hb-LifeTime-bcmLyo25perR.out
HB_inBothLayer_001_128-bcmLyo25perR.tbl cut 0.5 greater*
EOF
with *HB_inBothLayer_001_128-bcmLyo25perR.tbl * is the output file of
hydrogen bonding.
But this fail to run.
I wish to get some here.
Regards
Vijay
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Received on Wed Feb 11 2015 - 02:30:03 PST
