[gmx-users] hydrogen bond analysis
sunyeping
sunyeping at aliyun.com
Mon Jun 2 04:25:28 CEST 2014
Dear all
I wish to analyze hydrogen bonds in a gromacs MD trajectories with g_hbond. I want to get information about the life time of individual hbonds between the receptor and ligand in the structure through the trajector. in the output log file of g_hbond command, I can find the list of individual hbonds. But by using what option can I get the life time of each of these hbonds? I cannot the -life option provides a list as following:
10.000 2.399e-02 2.399e-01
30.000 8.837e-03 2.651e-01
50.000 4.897e-03 2.448e-01
70.000 2.525e-03 1.767e-01
90.000 2.219e-03 1.997e-01
110.000 1.760e-03 1.936e-01
130.000 1.033e-03 1.343e-01
150.000 7.651e-04 1.148e-01...........But I don't know what does these mean. Could you help me with that?
Yeping Sun
Institute of Microbiology, Chinese Academy of Sciences
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