Dear Apramita,
Right. Still, the same still applies with regards to the -666.
It could be a matter of statistics, why you get sensible values for the longer
trajectory chunk. Also, note that the trajectory length limits the possible
timescales that the model can tease out. If I understand
Dear Eric,
Its actually the DG(kj/mol) value which is -666. The time is coming to
be-126 ps. But the g_hbond is failing to fit the kinetic model to the data
for the last 60ns as you have implied. Any reasons why this could have
happened, while for the entire trajectory, I am getting positive
Dear All,
I've carried out a 100ns simulation of protein in water and want to
calculate hydrogen bond (forward) lifetime between Protein-Water.
Initially, I thought it would be better to analyse hydrogen bonds in last
60ns of simulation, so I truncated the trajectory using g_trjconv using -b
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