Dear all,
I did the h-bond analysis using cpptraj and I got following results in
"hbavg.dat". What I am looking for is the error (standard deviation)
associated with this average distance. For eg. For the following
2.8751 ± ???
I tried to look all the files from hydrogen bond analysis but I could
locate this information anywhere. Could someone please direct me on this?
DO I need to use specific instruction in cpptraj to get this separately?
I would really appreciate your help.
#Acceptor DonorH
Donor Frames Frac AvgDist
TYR_103.O_1631 ILE_18.H_258 ILE_18.N_257 8934
0.9927 2.8751
Sincerely,
Jag
Graduate Student
Michigan State Uiversity
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Received on Tue Jun 20 2017 - 19:30:03 PDT
