On 2/01/2011 2:18 PM, sreelakshmi ramesh wrote:
Dear all,
I have a protein in water and i have simulated it for few
nanoseconds and i now i wanted to monitor the The sum of the O-H
distances (in Å) of the backbone
hydrogen bonds ROH:i dono how to extract the value from the trajectory
file.Any siuggestion please.Thanks in advance
Look in section 7.4 of the manual for a suitable tool for extracting the
raw distances. You'll need some other non-GROMACS tool to add them up.
Mark
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