Dear AMBER users,
We know that from VMD we can get all the possible hydrogen
bonds as well as its associated percentage occupancy from a MD trajectory
file. But I want to get the distance among the donor and acceptor for all
the H-bonds obtained from the MD trajectories. I know that the default
distance is 3 Angstrom and angle of 20 degrees.
If any one can help in getting the distances for every
donor-acceptor atoms throughout the simulation I would be grateful. If any
coding is required for this purpose or any other suggestions are there,
kindly let me know.
Thanks and regards
Aditya.
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Received on Tue Nov 01 2011 - 02:00:04 PDT
