Dear All,
I have a general question regarding bridge hydrogen bonds: Are
these bonds part of the total solute-water hydrogen bonds when we use
cpptraj to calculate hbonds? Or I need to add solute-water hbonds + bridge
hbonds to get the total solute-water hydrogen bonds? Assuming I used the
following command:
hbond HB out nhb.dat avgout solute_avg.dat \
solventacceptor :WAT.O solventdonor :WAT \
solvout solvent_avg.dat bridgeout bridge.dat \
Thank you in advance.
Umesh Roy
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Received on Tue Aug 16 2022 - 08:00:05 PDT
