Dear Amber users!
I am performing analysis of hydrogen bonds between protein and ligand using:
I got the data file with the interactions that looks like
#Acceptor DonorH Donor Frames Frac
AvgDist AvgAng
lig_608.O GLU_166.H GLU_166.N 4296 0.7516
2.8592 162.9838
lig_608.O1 HIE_41.HE2 HIE_41.NE2 1787 0.3126
2.8266 155.9923
lig_608.O2 THR_26.H THR_26.N 1110 0.1942
2.8841 160.7712
lig_608.N1 HIE_163.HE2 HIE_163.NE2 776 0.1358
2.9177 149.2025
additionally I generated lifetime data.
Could you please specify how I may reduce this data to a simple 2
column graph to plot the number of the detected hydrogen bonds
depending on the trajectory timestep without any details of the
interactions?
Many thanks in advance
Enrico
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 31 2022 - 07:30:03 PDT
