hello,
I have a trajectory generated by gromacs in which I excluded water and
there is only protein, now I like to see how does the number of h_bond
between water and protein change during the trajectory. In fact when I
use g_hbond I can choose the water and protein but I was wondering where
I am running Metadynamics with gromacs, I saw a jump in the frame after
the simulation was running for a while, I copy here part of the log file:
Step Time Lambda
2055750041115.00.0
Energies (kJ/mol)
AngleProper Dih.
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